3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid

C11H14N2O4 — CID 103152963

IUPAC3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1ccccn1)CC(=O)O
InChIInChI=1S/C11H14N2O4/c1-17-8(6-10(14)15)7-13-11(16)9-4-2-3-5-12-9/h2-5,8H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyJNNAQDWTNNNRGE-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.30
Rot. Bonds6

About 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid

3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid (PubChem CID 103152963) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
PubChem CID103152963
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1ccccn1)CC(=O)O
InChIInChI=1S/C11H14N2O4/c1-17-8(6-10(14)15)7-13-11(16)9-4-2-3-5-12-9/h2-5,8H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyJNNAQDWTNNNRGE-UHFFFAOYSA-N
XLogP0.30
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(pyrazine-2-carbonylamino)butanoic acid
CID 103152974
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103157050
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204
methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate
CID 103493160
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 114308424
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 103153230
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 103153354
N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid (CID 103152963) is 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid is COC(CNC(=O)c1ccccn1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid?
The InChIKey is JNNAQDWTNNNRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-8(6-10(14)15)7-13-11(16)9-4-2-3-5-12-9/h2-5,8H,6-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid?
3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid is sourced from PubChem (CID 103152963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).