(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid

C19H22N2O4 — CID 120517382

IUPAC(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc(OC)c(-c2ccccn2)c1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-4-12(2)17(19(23)24)21-18(22)13-8-9-16(25-3)14(11-13)15-7-5-6-10-20-15/h5-12,17H,4H2,1-3H3,(H,21,22)(H,23,24)/t12-,17-/m0/s1
InChIKeyTVQAQFREYXMRRU-SJCJKPOMSA-N
MW342.40 g/mol
LogP2.99
Rot. Bonds7

About (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid

(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid (PubChem CID 120517382) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid
PubChem CID120517382
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc(OC)c(-c2ccccn2)c1)C(=O)O
InChIInChI=1S/C19H22N2O4/c1-4-12(2)17(19(23)24)21-18(22)13-8-9-16(25-3)14(11-13)15-7-5-6-10-20-15/h5-12,17H,4H2,1-3H3,(H,21,22)(H,23,24)/t12-,17-/m0/s1
InChIKeyTVQAQFREYXMRRU-SJCJKPOMSA-N
XLogP2.99
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid with MolForge

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Related Compounds

methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
N-[1-(hydroxymethyl)cyclopentyl]-4-methoxy-3-pyridin-2-ylbenzamide
CID 110008383
N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide
CID 109399395
4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide
CID 97086951
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
(2S,3S)-2-[[3-(2-methoxy-2-oxoethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119194080
2-(3H-benzimidazole-5-carbonylamino)-3-methylpentanoic acid
CID 24703750
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119211791
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55347458

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid (CID 120517382) is (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)c1ccc(OC)c(-c2ccccn2)c1)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid?
The InChIKey is TVQAQFREYXMRRU-SJCJKPOMSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-12(2)17(19(23)24)21-18(22)13-8-9-16(25-3)14(11-13)15-7-5-6-10-20-15/h5-12,17H,4H2,1-3H3,(H,21,22)(H,23,24)/t12-,17-/m0/s1.
What are the key properties of (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid?
(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid has a molecular weight of 342.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 120517382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).