2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid

C13H18N2O3 — CID 61194418

IUPAC2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1ccccc1NC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H18N2O3/c1-9(2)15(8-12(16)17)13(18)14-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYGBZAFZSQXDSLC-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.32
Rot. Bonds4

About 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid

2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid (PubChem CID 61194418) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
PubChem CID61194418
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
SMILESCc1ccccc1NC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C13H18N2O3/c1-9(2)15(8-12(16)17)13(18)14-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYGBZAFZSQXDSLC-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid (CID 61194418) is 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid is Cc1ccccc1NC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is YGBZAFZSQXDSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)15(8-12(16)17)13(18)14-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid?
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61194418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).