4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid

C19H22N2O4 — CID 120528640

IUPAC4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(Oc2cccnc2)cc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-13(2)10-15(19(23)24)11-21-18(22)14-5-7-16(8-6-14)25-17-4-3-9-20-12-17/h3-9,12-13,15H,10-11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyOXFHWWVBJPDSQQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.35
Rot. Bonds8

About 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid

4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid (PubChem CID 120528640) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid
PubChem CID120528640
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(Oc2cccnc2)cc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-13(2)10-15(19(23)24)11-21-18(22)14-5-7-16(8-6-14)25-17-4-3-9-20-12-17/h3-9,12-13,15H,10-11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyOXFHWWVBJPDSQQ-UHFFFAOYSA-N
XLogP3.35
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride
CID 119995380
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252819
4-pyridin-3-yloxybenzoic acid
CID 22261667
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[(2S)-1-[[2-hydroxy-3-[(4-phenoxybenzoyl)amino]propyl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-8-carboxamide
CID 54276009
2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253750
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid (CID 120528640) is 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)c1ccc(Oc2cccnc2)cc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid?
The InChIKey is OXFHWWVBJPDSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)10-15(19(23)24)11-21-18(22)14-5-7-16(8-6-14)25-17-4-3-9-20-12-17/h3-9,12-13,15H,10-11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid?
4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid has a molecular weight of 342.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(4-pyridin-3-yloxybenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 120528640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).