2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid

C12H17N3O3 — CID 54926120

IUPAC2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1ncccc1C(N)=O
InChIInChI=1S/C12H17N3O3/c1-3-8(2)15(7-10(16)17)12-9(11(13)18)5-4-6-14-12/h4-6,8H,3,7H2,1-2H3,(H2,13,18)(H,16,17)
InChIKeyNHVPNWWUGDXMNN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.87
Rot. Bonds6

About 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid

2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid (PubChem CID 54926120) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid
PubChem CID54926120
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1ncccc1C(N)=O
InChIInChI=1S/C12H17N3O3/c1-3-8(2)15(7-10(16)17)12-9(11(13)18)5-4-6-14-12/h4-6,8H,3,7H2,1-2H3,(H2,13,18)(H,16,17)
InChIKeyNHVPNWWUGDXMNN-UHFFFAOYSA-N
XLogP0.87
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770
2-[(3-carbamoyl-2-pyridinyl)-prop-2-enylamino]acetic acid
CID 79263862
2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 79719768
2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
CID 54925733
1-[2-[2-methylpropyl(pentan-3-yl)amino]-3-pyridinyl]ethanone
CID 114055594
2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 140609649
2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid
CID 62131479
2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride
CID 142680777
4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81065361
2-[ethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 43265878
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid (CID 54926120) is 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid is CCC(C)N(CC(=O)O)c1ncccc1C(N)=O.
What is the InChIKey of 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid?
The InChIKey is NHVPNWWUGDXMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-8(2)15(7-10(16)17)12-9(11(13)18)5-4-6-14-12/h4-6,8H,3,7H2,1-2H3,(H2,13,18)(H,16,17).
What are the key properties of 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid?
2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(3-carbamoyl-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 54926120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).