2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid

C15H20N2O3 — CID 61206742

IUPAC2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)C1CC1)c1cccc(C)c1
InChIInChI=1S/C15H20N2O3/c1-3-16(13-6-4-5-11(2)9-13)15(20)17(10-14(18)19)12-7-8-12/h4-6,9,12H,3,7-8,10H2,1-2H3,(H,18,19)
InChIKeyYQUADDFICXCNBT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.49
Rot. Bonds5

About 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 61206742) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID61206742
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(C(=O)N(CC(=O)O)C1CC1)c1cccc(C)c1
InChIInChI=1S/C15H20N2O3/c1-3-16(13-6-4-5-11(2)9-13)15(20)17(10-14(18)19)12-7-8-12/h4-6,9,12H,3,7-8,10H2,1-2H3,(H,18,19)
InChIKeyYQUADDFICXCNBT-UHFFFAOYSA-N
XLogP2.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid (CID 61206742) is 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid is CCN(C(=O)N(CC(=O)O)C1CC1)c1cccc(C)c1.
What is the InChIKey of 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is YQUADDFICXCNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-16(13-6-4-5-11(2)9-13)15(20)17(10-14(18)19)12-7-8-12/h4-6,9,12H,3,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[ethyl-(3-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61206742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).