2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid

C14H17NO4 — CID 62697272

IUPAC2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid
SMILESCOc1ccc(C)cc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H17NO4/c1-8-3-6-11(19-2)10(7-8)13(16)15-12(14(17)18)9-4-5-9/h3,6-7,9,12H,4-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCBJIFXZQIIEYDP-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.60
Rot. Bonds5

About 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid

2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid (PubChem CID 62697272) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid
PubChem CID62697272
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid
SMILESCOc1ccc(C)cc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H17NO4/c1-8-3-6-11(19-2)10(7-8)13(16)15-12(14(17)18)9-4-5-9/h3,6-7,9,12H,4-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCBJIFXZQIIEYDP-UHFFFAOYSA-N
XLogP1.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 79010669
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
CID 62696695
2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
CID 120521154
N-(4-aminopentan-2-yl)-2-methoxy-5-methylbenzamide
CID 113376825
2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 120521147
N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxy-5-methylbenzamide
CID 61245771
(2S)-2-[(2-methoxy-5-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 61152833
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253
2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62695830
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid (CID 62697272) is 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid is COc1ccc(C)cc1C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid?
The InChIKey is CBJIFXZQIIEYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-3-6-11(19-2)10(7-8)13(16)15-12(14(17)18)9-4-5-9/h3,6-7,9,12H,4-5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid?
2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 62697272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).