(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid

C20H24N2O4 — CID 119360777

IUPAC(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid
SMILESCc1ccc(OCc2cccc(C(=O)N[C@@H](CC(C)C)C(=O)O)c2)cn1
InChIInChI=1S/C20H24N2O4/c1-13(2)9-18(20(24)25)22-19(23)16-6-4-5-15(10-16)12-26-17-8-7-14(3)21-11-17/h4-8,10-11,13,18H,9,12H2,1-3H3,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyNCRUFNFJXNIOMR-SFHVURJKSA-N
MW356.42 g/mol
LogP3.20
Rot. Bonds8

About (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid

(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid (PubChem CID 119360777) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid
PubChem CID119360777
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid
SMILESCc1ccc(OCc2cccc(C(=O)N[C@@H](CC(C)C)C(=O)O)c2)cn1
InChIInChI=1S/C20H24N2O4/c1-13(2)9-18(20(24)25)22-19(23)16-6-4-5-15(10-16)12-26-17-8-7-14(3)21-11-17/h4-8,10-11,13,18H,9,12H2,1-3H3,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyNCRUFNFJXNIOMR-SFHVURJKSA-N
XLogP3.20
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
CID 120535893
3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]butanoic acid
CID 120537130
N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 111447845
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
N-(2-amino-1-cyclohexylethyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119589690
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119522184
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350
N-[1-(3,4-dimethylphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
CID 141063928
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
(2R)-2-[[3-[(4-iodophenoxy)methyl]benzoyl]amino]-3-methylbutanoic acid
CID 166378252

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid (CID 119360777) is (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid is Cc1ccc(OCc2cccc(C(=O)N[C@@H](CC(C)C)C(=O)O)c2)cn1.
What is the InChIKey of (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid?
The InChIKey is NCRUFNFJXNIOMR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(2)9-18(20(24)25)22-19(23)16-6-4-5-15(10-16)12-26-17-8-7-14(3)21-11-17/h4-8,10-11,13,18H,9,12H2,1-3H3,(H,22,23)(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119360777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).