2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid

C15H22N2O4 — CID 63065425

IUPAC2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(C)cc1NC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)8-17(9-14(18)19)15(20)16-12-7-11(3)5-6-13(12)21-4/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyAGKDNPVHJXJOEN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.58
Rot. Bonds6

About 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid

2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63065425) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID63065425
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(C)cc1NC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)8-17(9-14(18)19)15(20)16-12-7-11(3)5-6-13(12)21-4/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyAGKDNPVHJXJOEN-UHFFFAOYSA-N
XLogP2.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065085
3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61184429
1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
CID 5047636
2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113166585
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
CID 108914659
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
2-[(2-chloro-4-iodophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 107605798
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147778
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid (CID 63065425) is 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid is COc1ccc(C)cc1NC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is AGKDNPVHJXJOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)8-17(9-14(18)19)15(20)16-12-7-11(3)5-6-13(12)21-4/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).