3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid

C11H22N2O3 — CID 107570372

IUPAC3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid
SMILESCCC[C@H](N)C(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-4-5-8(12)11(16)13-9(7(2)3)6-10(14)15/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,9?/m0/s1
InChIKeyWHYBRGQKSLJVRN-IENPIDJESA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds7

About 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid

3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid (PubChem CID 107570372) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid
PubChem CID107570372
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid
SMILESCCC[C@H](N)C(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-4-5-8(12)11(16)13-9(7(2)3)6-10(14)15/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,9?/m0/s1
InChIKeyWHYBRGQKSLJVRN-IENPIDJESA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pentanamide
CID 79249157
(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pentanamide
CID 103813848
2-amino-N-(3-methylbutan-2-yl)pentanamide
CID 43650228
3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid
CID 107570673
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
4-[(1-acetyloxy-3-methylbutan-2-yl)amino]-3-amino-4-oxobutanoic acid
CID 75018302
3-amino-4-[[3-methyl-1-(2-methylpropanoyloxy)butan-2-yl]amino]-4-oxobutanoic acid
CID 54505113
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate
CID 107568571
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid (CID 107570372) is 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid is CCC[C@H](N)C(=O)NC(CC(=O)O)C(C)C.
What is the InChIKey of 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid?
The InChIKey is WHYBRGQKSLJVRN-IENPIDJESA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-8(12)11(16)13-9(7(2)3)6-10(14)15/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,9?/m0/s1.
What are the key properties of 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid?
3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 107570372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).