(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid

C9H17NO4 — CID 61151739

IUPAC(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
SMILESCCCC(C)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-6(2)8(12)10-7(5-11)9(13)14/h6-7,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t6?,7-/m0/s1
InChIKeyAMIABXCAPNDLJZ-MLWJPKLSSA-N
MW203.24 g/mol
LogP-0.02
Rot. Bonds6

About (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid

(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid (PubChem CID 61151739) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
PubChem CID61151739
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
SMILESCCCC(C)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-6(2)8(12)10-7(5-11)9(13)14/h6-7,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t6?,7-/m0/s1
InChIKeyAMIABXCAPNDLJZ-MLWJPKLSSA-N
XLogP-0.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 104685369
(2R)-2-[2-(aminomethyl)pentanoylamino]-3-hydroxypropanoic acid
CID 80750422
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
(E)-2-(2-methylpentanoylamino)hex-4-enoic acid
CID 120694191
2-methyl-N-propan-2-ylpentanamide
CID 4628268
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
3-methyl-2-(2-methylpentanoylamino)butanoic acid
CID 43209765

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid (CID 61151739) is (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid is CCCC(C)C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid?
The InChIKey is AMIABXCAPNDLJZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-4-6(2)8(12)10-7(5-11)9(13)14/h6-7,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t6?,7-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid?
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid is sourced from PubChem (CID 61151739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).