tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane

C38H75N5O7 — CID 143064139

IUPACtert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane
SMILESCC.CC.CC(C)C.CC1CC(C(=O)NCC(O)C(=O)NC2CC2)N(C(=O)CNC(=O)C(NC(=O)OC(C)(C)C)C2CCCCC2)C1.CCC
InChIInChI=1S/C27H45N5O7.C4H10.C3H8.2C2H6/c1-16-12-19(23(35)28-13-20(33)24(36)30-18-10-11-18)32(15-16)21(34)14-29-25(37)22(17-8-6-5-7-9-17)31-26(38)39-27(2,3)4;1-4(2)3;1-3-2;2*1-2/h16-20,22,33H,5-15H2,1-4H3,(H,28,35)(H,29,37)(H,30,36)(H,31,38);4H,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeyOEKFQHZGMMIYIQ-UHFFFAOYSA-N
MW714.05 g/mol
LogP5.70
Rot. Bonds10

About tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane

tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane (PubChem CID 143064139) has the molecular formula C38H75N5O7 and a molecular weight of 714.05 g/mol. Its IUPAC name is tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane.

Molecular Properties

Compound Nametert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane
PubChem CID143064139
Molecular FormulaC38H75N5O7
Molecular Weight714.05 g/mol
Exact Mass713.57
IUPAC Nametert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane
SMILESCC.CC.CC(C)C.CC1CC(C(=O)NCC(O)C(=O)NC2CC2)N(C(=O)CNC(=O)C(NC(=O)OC(C)(C)C)C2CCCCC2)C1.CCC
InChIInChI=1S/C27H45N5O7.C4H10.C3H8.2C2H6/c1-16-12-19(23(35)28-13-20(33)24(36)30-18-10-11-18)32(15-16)21(34)14-29-25(37)22(17-8-6-5-7-9-17)31-26(38)39-27(2,3)4;1-4(2)3;1-3-2;2*1-2/h16-20,22,33H,5-15H2,1-4H3,(H,28,35)(H,29,37)(H,30,36)(H,31,38);4H,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeyOEKFQHZGMMIYIQ-UHFFFAOYSA-N
XLogP5.70
TPSA166.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.05
LogP ≤ 55.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane with MolForge

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Related Compounds

methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 174279301
4-cyclohexyl-1-[2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 122580543
(2S,4S)-N-cyclopropyl-4-hydroxy-1-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]acetyl]pyrrolidine-2-carboxamide
CID 143329859
methyl (2S,4R)-4-hydroxy-1-[2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]pyrrolidine-2-carboxylate
CID 122580611
tert-butyl 2-[[1-cyclohexyl-2-[4-methyl-2-[[1-(methylamino)-1,2-dioxoheptan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]acetate
CID 143357252
tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
CID 142306619
tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate
CID 66786848
tert-butyl N-[(1S)-1-cyclohexyl-2-[(2S,4R)-4-methyl-2-[[(1R)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 70947962
tert-butyl N-[2-[2-[[1-cyclopropyl-3-hydroxy-4-oxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane
CID 143100521
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 175131953
tert-butyl N-[(2R)-1-(cyclohexylamino)-4,4-dimethyl-1-oxopentan-2-yl]carbamate;carbonic acid
CID 68800624

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane?
The IUPAC name of tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane (CID 143064139) is tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane.
What is the SMILES notation for tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane?
The canonical SMILES for tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane is CC.CC.CC(C)C.CC1CC(C(=O)NCC(O)C(=O)NC2CC2)N(C(=O)CNC(=O)C(NC(=O)OC(C)(C)C)C2CCCCC2)C1.CCC.
What is the InChIKey of tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane?
The InChIKey is OEKFQHZGMMIYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N5O7.C4H10.C3H8.2C2H6/c1-16-12-19(23(35)28-13-20(33)24(36)30-18-10-11-18)32(15-16)21(34)14-29-25(37)22(17-8-6-5-7-9-17)31-26(38)39-27(2,3)4;1-4(2)3;1-3-2;2*1-2/h16-20,22,33H,5-15H2,1-4H3,(H,28,35)(H,29,37)(H,30,36)(H,31,38);4H,1-3H3;3H2,1-2H3;2*1-2H3.
What are the key properties of tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane?
tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane has a molecular weight of 714.05 g/mol, XLogP of 5.70, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclohexyl-2-[[2-[2-[[3-(cyclopropylamino)-2-hydroxy-3-oxopropyl]carbamoyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamate;ethane;2-methylpropane;propane is sourced from PubChem (CID 143064139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).