(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid

C14H19NO4 — CID 79010669

IUPAC(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
SMILESCOc1ccc(C)cc1C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C14H19NO4/c1-8(2)12(14(17)18)15-13(16)10-7-9(3)5-6-11(10)19-4/h5-8,12H,1-4H3,(H,15,16)(H,17,18)/t12-/m1/s1
InChIKeyWOICKKHWKOXBPI-GFCCVEGCSA-N
MW265.31 g/mol
LogP1.84
Rot. Bonds5

About (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid

(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid (PubChem CID 79010669) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
PubChem CID79010669
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
SMILESCOc1ccc(C)cc1C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C14H19NO4/c1-8(2)12(14(17)18)15-13(16)10-7-9(3)5-6-11(10)19-4/h5-8,12H,1-4H3,(H,15,16)(H,17,18)/t12-/m1/s1
InChIKeyWOICKKHWKOXBPI-GFCCVEGCSA-N
XLogP1.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607
2-[(2-iodo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 119348357
2-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 108795992
(2R)-2-[(2-chloro-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 106860616
2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid
CID 62697272
N-(4-aminopentan-2-yl)-2-methoxy-5-methylbenzamide
CID 113376825
methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate
CID 43386291
3-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918170
N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxy-5-methylbenzamide
CID 61245771
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490
2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]-3-methylpentanoic acid
CID 120686652
(2S)-2-[(2-methoxy-5-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 61152833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid (CID 79010669) is (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid is COc1ccc(C)cc1C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid?
The InChIKey is WOICKKHWKOXBPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8(2)12(14(17)18)15-13(16)10-7-9(3)5-6-11(10)19-4/h5-8,12H,1-4H3,(H,15,16)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid?
(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 79010669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).