(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid

C17H25NO5 — CID 119364336

IUPAC(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1OCC
InChIInChI=1S/C17H25NO5/c1-5-22-14-8-7-12(10-15(14)23-6-2)16(19)18-13(17(20)21)9-11(3)4/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyNKYSQSVSDWTSLO-CYBMUJFWSA-N
MW323.39 g/mol
LogP2.71
Rot. Bonds9

About (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid

(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 119364336) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID119364336
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1OCC
InChIInChI=1S/C17H25NO5/c1-5-22-14-8-7-12(10-15(14)23-6-2)16(19)18-13(17(20)21)9-11(3)4/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyNKYSQSVSDWTSLO-CYBMUJFWSA-N
XLogP2.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975418
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid (CID 119364336) is (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid is CCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1OCC.
What is the InChIKey of (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is NKYSQSVSDWTSLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25NO5/c1-5-22-14-8-7-12(10-15(14)23-6-2)16(19)18-13(17(20)21)9-11(3)4/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,18,19)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).