2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid

C9H16N2O4 — CID 86733619

IUPAC2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid
SMILESCCC(N)(C(=O)O)N(C=O)C(=O)C(C)C
InChIInChI=1S/C9H16N2O4/c1-4-9(10,8(14)15)11(5-12)7(13)6(2)3/h5-6H,4,10H2,1-3H3,(H,14,15)
InChIKeyRZCYQEXDXSHAAN-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.22
Rot. Bonds5

About 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid

2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid (PubChem CID 86733619) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid
PubChem CID86733619
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid
SMILESCCC(N)(C(=O)O)N(C=O)C(=O)C(C)C
InChIInChI=1S/C9H16N2O4/c1-4-9(10,8(14)15)11(5-12)7(13)6(2)3/h5-6H,4,10H2,1-3H3,(H,14,15)
InChIKeyRZCYQEXDXSHAAN-UHFFFAOYSA-N
XLogP-0.22
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(dimethylamino)butanoic acid
CID 88610523
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
(2S)-2-amino-2-ethyl-3-methylbutanoic acid
CID 54561958
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
2-amino-2-(dimethylamino)pentanoic acid
CID 87316301
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
4-amino-2,4-dimethylhexan-3-one
CID 116590206
2-[ethyl(formyl)amino]-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868211
4-[acetyl(2-methylpropanoyl)amino]-2,2,4-trimethylhexanoic acid
CID 123290025
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
4-amino-2,2,4-trimethylhexanoic acid
CID 89085708

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid?
The IUPAC name of 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid (CID 86733619) is 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid?
The canonical SMILES for 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid is CCC(N)(C(=O)O)N(C=O)C(=O)C(C)C.
What is the InChIKey of 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid?
The InChIKey is RZCYQEXDXSHAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-4-9(10,8(14)15)11(5-12)7(13)6(2)3/h5-6H,4,10H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid?
2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[formyl(2-methylpropanoyl)amino]butanoic acid is sourced from PubChem (CID 86733619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).