(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide

C15H30N4O3 — CID 138591148

IUPAC(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide
SMILESCCCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C15H30N4O3/c1-4-6-13(20)18-11(7-5-8-16)15(22)19-12(14(17)21)9-10(2)3/h10-12H,4-9,16H2,1-3H3,(H2,17,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1
InChIKeyAHTMFCZXWPLVDX-RYUDHWBXSA-N
MW314.43 g/mol
LogP0.03
Rot. Bonds11

About (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide

(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide (PubChem CID 138591148) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide
PubChem CID138591148
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Name(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide
SMILESCCCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C15H30N4O3/c1-4-6-13(20)18-11(7-5-8-16)15(22)19-12(14(17)21)9-10(2)3/h10-12H,4-9,16H2,1-3H3,(H2,17,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1
InChIKeyAHTMFCZXWPLVDX-RYUDHWBXSA-N
XLogP0.03
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide with MolForge

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Related Compounds

N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 46865330
(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
N-[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]decanamide
CID 73212204
N-[(2S)-5-amino-1-[[(2S)-1,5-diamino-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]hexadecanamide
CID 73212161
[3-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-(butanoylamino)-3-oxopropyl]carbamic acid
CID 138591553
(2S)-2-(6-aminohexanoylamino)-4-methylpentanamide
CID 89070507
N-[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]tetradecanamide
CID 102528049
12-[[5-amino-2-[[5-amino-2-(decanoylamino)pentanoyl]amino]pentanoyl]amino]-N-(1,5-diamino-1-oxopentan-2-yl)dodecanamide
CID 147465259
(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]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]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
CID 10329066
(2S)-2-acetamido-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide
CID 171351899
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]hexanamide
CID 10034407
N-[(2S)-6-amino-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]octadecanamide
CID 100971109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide (CID 138591148) is (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide is CCCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide?
The InChIKey is AHTMFCZXWPLVDX-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-4-6-13(20)18-11(7-5-8-16)15(22)19-12(14(17)21)9-10(2)3/h10-12H,4-9,16H2,1-3H3,(H2,17,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide?
(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide has a molecular weight of 314.43 g/mol, XLogP of 0.03, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide is sourced from PubChem (CID 138591148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).