2-[(2-amino-3-methylpentanoyl)amino]propanoic acid

C9H18N2O3 — CID 5246010

IUPAC2-[(2-amino-3-methylpentanoyl)amino]propanoic acid
SMILESCCC(C)C(N)C(=O)NC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5(2)7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyRCFDOSNHHZGBOY-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds5

About 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid

2-[(2-amino-3-methylpentanoyl)amino]propanoic acid (PubChem CID 5246010) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3-methylpentanoyl)amino]propanoic acid
PubChem CID5246010
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[(2-amino-3-methylpentanoyl)amino]propanoic acid
SMILESCCC(C)C(N)C(=O)NC(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5(2)7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyRCFDOSNHHZGBOY-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid?
The IUPAC name of 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid (CID 5246010) is 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid is CCC(C)C(N)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid?
The InChIKey is RCFDOSNHHZGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-5(2)7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid?
2-[(2-amino-3-methylpentanoyl)amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 5246010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).