2-hydroxy-3-(2-methylbutanoylamino)propanoic acid

C8H15NO4 — CID 66167020

IUPAC2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
SMILESCCC(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-5(2)7(11)9-4-6(10)8(12)13/h5-6,10H,3-4H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyKAFDFEZYJLZQGE-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.41
Rot. Bonds5

About 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid

2-hydroxy-3-(2-methylbutanoylamino)propanoic acid (PubChem CID 66167020) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
PubChem CID66167020
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
SMILESCCC(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-5(2)7(11)9-4-6(10)8(12)13/h5-6,10H,3-4H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyKAFDFEZYJLZQGE-UHFFFAOYSA-N
XLogP-0.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948
(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835763
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81478398
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
3-(butan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166107
3-methyl-4-(2-methylbutanoylamino)butanoic acid
CID 81064601
(2S)-2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoic acid
CID 107833554
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
CID 107836168
3-(3-ethylpentan-2-ylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166964

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid (CID 66167020) is 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid is CCC(C)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid?
The InChIKey is KAFDFEZYJLZQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-5(2)7(11)9-4-6(10)8(12)13/h5-6,10H,3-4H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid?
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylbutanoylamino)propanoic acid is sourced from PubChem (CID 66167020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).