tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate

C15H27N3O4 — CID 143329876

IUPACtert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1C[C@@H](O)C[C@H]1CNC1CC1
InChIInChI=1S/C15H27N3O4/c1-15(2,3)22-14(21)17-8-13(20)18-9-12(19)6-11(18)7-16-10-4-5-10/h10-12,16,19H,4-9H2,1-3H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyQMGVLBVDMYVREB-RYUDHWBXSA-N
MW313.40 g/mol
LogP0.22
Rot. Bonds5

About tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 143329876) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID143329876
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Nametert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1C[C@@H](O)C[C@H]1CNC1CC1
InChIInChI=1S/C15H27N3O4/c1-15(2,3)22-14(21)17-8-13(20)18-9-12(19)6-11(18)7-16-10-4-5-10/h10-12,16,19H,4-9H2,1-3H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyQMGVLBVDMYVREB-RYUDHWBXSA-N
XLogP0.22
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 143329845
tert-butyl N-[2-[(2S,4S)-2-formyl-4-hydroxypyrrolidin-1-yl]-2-sulfanylideneethyl]carbamate
CID 59926953
methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 174279301
(2S,4S)-N-cyclopropyl-4-hydroxy-1-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]acetyl]pyrrolidine-2-carboxamide
CID 143329859
tert-butyl N-[2-oxo-2-[2-(sulfanylmethyl)pyrrolidin-1-yl]ethyl]carbamate
CID 20623549
methyl 3-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 143350904
tert-butyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate;ethane;formic acid
CID 143037682
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 95973096
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate
CID 91309332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 143329876) is tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1C[C@@H](O)C[C@H]1CNC1CC1.
What is the InChIKey of tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is QMGVLBVDMYVREB-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-15(2,3)22-14(21)17-8-13(20)18-9-12(19)6-11(18)7-16-10-4-5-10/h10-12,16,19H,4-9H2,1-3H3,(H,17,21)/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2S,4S)-2-[(cyclopropylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 143329876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).