2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid

C15H22N2O2 — CID 67531574

IUPAC2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid
SMILESCCN(NC1(C)CC1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-3-17(16-15(2)9-10-15)13(14(18)19)11-12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3,(H,18,19)
InChIKeyRCTDDWVYUYZYIW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.06
Rot. Bonds7

About 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid

2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid (PubChem CID 67531574) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid
PubChem CID67531574
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid
SMILESCCN(NC1(C)CC1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-3-17(16-15(2)9-10-15)13(14(18)19)11-12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3,(H,18,19)
InChIKeyRCTDDWVYUYZYIW-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid (CID 67531574) is 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid is CCN(NC1(C)CC1)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid?
The InChIKey is RCTDDWVYUYZYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-17(16-15(2)9-10-15)13(14(18)19)11-12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid?
2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-methylcyclopropyl)amino]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 67531574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).