(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid

C10H20N2O3 — CID 107565180

IUPAC(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C(C)CCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-4-8(10(14)15)12-9(13)7(2)5-6-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1
InChIKeyHGQHVYQRTBUUTA-MQWKRIRWSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds7

About (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid

(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid (PubChem CID 107565180) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
PubChem CID107565180
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)C(C)CCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-4-8(10(14)15)12-9(13)7(2)5-6-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1
InChIKeyHGQHVYQRTBUUTA-MQWKRIRWSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
2-[(4-amino-2-methylbutanoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82787220
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid (CID 107565180) is (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid is CCC[C@H](NC(=O)C(C)CCN)C(=O)O.
What is the InChIKey of (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid?
The InChIKey is HGQHVYQRTBUUTA-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-4-8(10(14)15)12-9(13)7(2)5-6-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid?
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid is sourced from PubChem (CID 107565180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).