4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid

C11H15N3O3 — CID 81065361

IUPAC4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
SMILESCC(CNc1ncccc1C(N)=O)CC(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(5-9(15)16)6-14-11-8(10(12)17)3-2-4-13-11/h2-4,7H,5-6H2,1H3,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyIEVVUXPPECBXKF-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.70
Rot. Bonds6

About 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid

4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid (PubChem CID 81065361) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
PubChem CID81065361
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
SMILESCC(CNc1ncccc1C(N)=O)CC(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(5-9(15)16)6-14-11-8(10(12)17)3-2-4-13-11/h2-4,7H,5-6H2,1H3,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyIEVVUXPPECBXKF-UHFFFAOYSA-N
XLogP0.70
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carboxylic acid
CID 63960048
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
3-methyl-4-(pyridin-2-ylamino)butanoic acid
CID 115219759
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide
CID 113227750
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-(2,3,3-trimethylbutylamino)pyridine-3-carbothioamide
CID 83144500
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
4-(4-carbamoyl-3-methylanilino)-3-methylbutanoic acid
CID 81273308

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid?
The IUPAC name of 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid (CID 81065361) is 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid is CC(CNc1ncccc1C(N)=O)CC(=O)O.
What is the InChIKey of 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid?
The InChIKey is IEVVUXPPECBXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(5-9(15)16)6-14-11-8(10(12)17)3-2-4-13-11/h2-4,7H,5-6H2,1H3,(H2,12,17)(H,13,14)(H,15,16).
What are the key properties of 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid?
4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 81065361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).