2-(2-methylbutanoylamino)propanoic acid

C8H15NO3 — CID 14758658

IUPAC2-(2-methylbutanoylamino)propanoic acid
SMILESCCC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-5(2)7(10)9-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyQHZBSHVEBMBUEW-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.62
Rot. Bonds4

About 2-(2-methylbutanoylamino)propanoic acid

2-(2-methylbutanoylamino)propanoic acid (PubChem CID 14758658) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(2-methylbutanoylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-methylbutanoylamino)propanoic acid
PubChem CID14758658
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(2-methylbutanoylamino)propanoic acid
SMILESCCC(C)C(=O)NC(C)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-5(2)7(10)9-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyQHZBSHVEBMBUEW-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
(2S)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 103791005
(2R)-2-(but-1-en-2-ylamino)propanoic acid
CID 145082166
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
(2S)-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]propanoic acid
CID 54252173
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
2-(2,3-dihydroxypropanoylamino)propanoic acid
CID 86130746
N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
CID 59861010
(2S)-2-[[(2S)-2-bromopropanoyl]amino]propanoic acid
CID 6933164

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutanoylamino)propanoic acid?
The IUPAC name of 2-(2-methylbutanoylamino)propanoic acid (CID 14758658) is 2-(2-methylbutanoylamino)propanoic acid.
What is the SMILES notation for 2-(2-methylbutanoylamino)propanoic acid?
The canonical SMILES for 2-(2-methylbutanoylamino)propanoic acid is CCC(C)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(2-methylbutanoylamino)propanoic acid?
The InChIKey is QHZBSHVEBMBUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-5(2)7(10)9-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2-(2-methylbutanoylamino)propanoic acid?
2-(2-methylbutanoylamino)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutanoylamino)propanoic acid is sourced from PubChem (CID 14758658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).