tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C19H36N4O5 — CID 651440

IUPACtert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(C)C(N)=O)C(C)C
InChIInChI=1S/C19H36N4O5/c1-10(2)9-13(22-18(27)28-19(6,7)8)16(25)23-14(11(3)4)17(26)21-12(5)15(20)24/h10-14H,9H2,1-8H3,(H2,20,24)(H,21,26)(H,22,27)(H,23,25)
InChIKeyCVEKZIAOMHOYOA-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.06
Rot. Bonds9

About tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 651440) has the molecular formula C19H36N4O5 and a molecular weight of 400.52 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID651440
Molecular FormulaC19H36N4O5
Molecular Weight400.52 g/mol
Exact Mass400.27
IUPAC Nametert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(C)C(N)=O)C(C)C
InChIInChI=1S/C19H36N4O5/c1-10(2)9-13(22-18(27)28-19(6,7)8)16(25)23-14(11(3)4)17(26)21-12(5)15(20)24/h10-14H,9H2,1-8H3,(H2,20,24)(H,21,26)(H,22,27)(H,23,25)
InChIKeyCVEKZIAOMHOYOA-UHFFFAOYSA-N
XLogP1.06
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-methylbutyl]carbamate
CID 11492732
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]butyl]carbamate
CID 11514386
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-cyclopropylethyl]carbamate
CID 11651881
tert-butyl N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 58336677
Chrysosporide
CID 16091636
tert-butyl N-[(1S,2R)-1-[(cyanomethyl)carbamoyl]-2-methylbutyl]carbamate
CID 23648531
{1-[1-(2-Carbamoyl-pyrrolidine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
CID 653132
2-[1-(1-Carbamoyl-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 655333
[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butyl]-carbamic acid tert-butyl ester
CID 3108335
{1-[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-2-methyl-propylcarbamoyl]-3-methylsulfanyl-propyl}-carbamic acid tert-butyl ester
CID 3124129
tert-butyl N-[(2S)-1-[[(2S)-1-(2-ethoxycarbonylhydrazinyl)-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 11729403
Boc-Val-Gly-DL-Val-CF3
CID 14861877

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 651440) is tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NC(C)C(N)=O)C(C)C.
What is the InChIKey of tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is CVEKZIAOMHOYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O5/c1-10(2)9-13(22-18(27)28-19(6,7)8)16(25)23-14(11(3)4)17(26)21-12(5)15(20)24/h10-14H,9H2,1-8H3,(H2,20,24)(H,21,26)(H,22,27)(H,23,25).
What are the key properties of tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 400.52 g/mol, XLogP of 1.06, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 651440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).