(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid

C10H20N2O4 — CID 107836409

IUPAC(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
SMILESCCC(C)C(N)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-6(2)8(11)9(14)12-5-4-7(13)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t6?,7-,8?/m0/s1
InChIKeyRIRPQHGMBBALQM-WTIBDHCWSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds7

About (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107836409) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
PubChem CID107836409
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
SMILESCCC(C)C(N)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-6(2)8(11)9(14)12-5-4-7(13)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t6?,7-,8?/m0/s1
InChIKeyRIRPQHGMBBALQM-WTIBDHCWSA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
CID 80540178
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid (CID 107836409) is (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid is CCC(C)C(N)C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is RIRPQHGMBBALQM-WTIBDHCWSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-6(2)8(11)9(14)12-5-4-7(13)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t6?,7-,8?/m0/s1.
What are the key properties of (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).