2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid

C12H16N2O4 — CID 114040065

IUPAC2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H16N2O4/c1-3-8(2)14(7-11(16)17)12(18)9-5-4-6-10(15)13-9/h4-6,8H,3,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyHBGMNIIAVLBPGF-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.70
Rot. Bonds5

About 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid

2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid (PubChem CID 114040065) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid
PubChem CID114040065
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H16N2O4/c1-3-8(2)14(7-11(16)17)12(18)9-5-4-6-10(15)13-9/h4-6,8H,3,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyHBGMNIIAVLBPGF-UHFFFAOYSA-N
XLogP0.70
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
CID 114040133
N,N-bis(3-methylbutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107358851
2-[(6-bromo-1H-indole-2-carbonyl)-butan-2-ylamino]acetic acid
CID 119955170
2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid
CID 65432054
2-[butan-2-yl(phenoxycarbonyl)amino]acetic acid
CID 54925597
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
2-[butan-2-yl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119954717
N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide
CID 107261621
2-[butan-2-yl-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]acetic acid
CID 119955102
2-[butan-2-yl-(4-nitro-1H-pyrrole-2-carbonyl)amino]acetic acid
CID 60829903
2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid
CID 60827561

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid (CID 114040065) is 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid?
The InChIKey is HBGMNIIAVLBPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-8(2)14(7-11(16)17)12(18)9-5-4-6-10(15)13-9/h4-6,8H,3,7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid?
2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 114040065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).