4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid

C12H16N2O4 — CID 105063090

IUPAC4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid
SMILESCOc1cnccc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-14(7-3-4-11(15)16)12(17)9-5-6-13-8-10(9)18-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyKUIIBTYGTZEFHX-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.03
Rot. Bonds6

About 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid

4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid (PubChem CID 105063090) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid
PubChem CID105063090
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid
SMILESCOc1cnccc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-14(7-3-4-11(15)16)12(17)9-5-6-13-8-10(9)18-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyKUIIBTYGTZEFHX-UHFFFAOYSA-N
XLogP1.03
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-methoxypyridine-4-carbonyl)-methylamino]acetate
CID 105064217
4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
methyl 4-[(3-chloropyridine-4-carbonyl)-methylamino]butanoate
CID 66484508
2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
CID 105063247
N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
CID 105064491
4-[(5-chloro-4-iodo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 43360141
4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid
CID 120684507
2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 105063162
N-benzyl-N-(2-chloroethyl)-3-methoxypyridine-4-carboxamide
CID 105064469
N-butyl-N,3-dimethylpyridine-4-carboxamide
CID 110855737
N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
CID 105063003
4-[methyl-(2-prop-2-enoxybenzoyl)amino]butanoic acid
CID 43360054

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid (CID 105063090) is 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid is COc1cnccc1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid?
The InChIKey is KUIIBTYGTZEFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(7-3-4-11(15)16)12(17)9-5-6-13-8-10(9)18-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid?
4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 105063090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).