(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid

C11H22N2O3 — CID 103869776

IUPAC(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C(C)(N)CCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-8(9(14)15)13-10(16)11(3,12)7-5-2/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,11?/m0/s1
InChIKeyJNTCGARLDGBKND-YMNIQAILSA-N
MW230.31 g/mol
LogP0.87
Rot. Bonds7

About (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid

(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid (PubChem CID 103869776) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
PubChem CID103869776
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C(C)(N)CCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-8(9(14)15)13-10(16)11(3,12)7-5-2/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,11?/m0/s1
InChIKeyJNTCGARLDGBKND-YMNIQAILSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022
(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid
CID 113342300
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
2-amino-N-(5,5-dimethylhexan-2-yl)-2-methylpentanamide
CID 119796586
2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid
CID 83041307
(2S)-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]pentanoic acid
CID 107564506
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
CID 122080967
2-amino-2-methyl-N-(6-methylheptan-2-yl)pentanamide;hydrochloride
CID 119673366
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid (CID 103869776) is (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid is CCC[C@H](NC(=O)C(C)(N)CCC)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid?
The InChIKey is JNTCGARLDGBKND-YMNIQAILSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-8(9(14)15)13-10(16)11(3,12)7-5-2/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,11?/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid?
(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid is sourced from PubChem (CID 103869776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).