[3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid

C14H26N4O5 — CID 138591553

IUPAC[3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid
SMILESCCCC(=O)NC(CNC(=O)O)C(=O)NC(CC(C)C)C(N)=O
InChIInChI=1S/C14H26N4O5/c1-4-5-11(19)17-10(7-16-14(22)23)13(21)18-9(12(15)20)6-8(2)3/h8-10,16H,4-7H2,1-3H3,(H2,15,20)(H,17,19)(H,18,21)(H,22,23)
InChIKeyCGTCGVPTXSUYMP-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.44
Rot. Bonds10

About [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid

[3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid (PubChem CID 138591553) has the molecular formula C14H26N4O5 and a molecular weight of 330.39 g/mol. Its IUPAC name is [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid
PubChem CID138591553
Molecular FormulaC14H26N4O5
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name[3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid
SMILESCCCC(=O)NC(CNC(=O)O)C(=O)NC(CC(C)C)C(N)=O
InChIInChI=1S/C14H26N4O5/c1-4-5-11(19)17-10(7-16-14(22)23)13(21)18-9(12(15)20)6-8(2)3/h8-10,16H,4-7H2,1-3H3,(H2,15,20)(H,17,19)(H,18,21)(H,22,23)
InChIKeyCGTCGVPTXSUYMP-UHFFFAOYSA-N
XLogP-0.44
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid with MolForge

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Related Compounds

[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid
CID 138591825
(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide
CID 138591148
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]pentanamide
CID 46882769
[3-acetamido-4-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-oxobutyl]carbamic acid
CID 138591769
(2S)-4-methyl-2-[6-(propanoylamino)hexanoylamino]pentanamide
CID 167209881
(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-methyl-2-(tridecanoylamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 10171146
[(4S)-4-amino-5-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentyl]carbamic acid
CID 138591665
N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 46865330
N-[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]octanamide
CID 59271241
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 7282367
(2S)-2-(6-aminohexanoylamino)-4-methylpentanamide
CID 89070507
4-amino-3-[[3-amino-2-[2,3-bis(hexadecanoylamino)propanoylamino]propanoyl]amino]-4-oxobutanoic acid
CID 20576105

Frequently Asked Questions

What is the IUPAC name of [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid?
The IUPAC name of [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid (CID 138591553) is [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid is CCCC(=O)NC(CNC(=O)O)C(=O)NC(CC(C)C)C(N)=O.
What is the InChIKey of [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid?
The InChIKey is CGTCGVPTXSUYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O5/c1-4-5-11(19)17-10(7-16-14(22)23)13(21)18-9(12(15)20)6-8(2)3/h8-10,16H,4-7H2,1-3H3,(H2,15,20)(H,17,19)(H,18,21)(H,22,23).
What are the key properties of [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid?
[3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid has a molecular weight of 330.39 g/mol, XLogP of -0.44, 10 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid is sourced from PubChem (CID 138591553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).