2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid

C20H29N3O3 — CID 122067321

IUPAC2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
SMILESCC(C)N1CCN(c2ccc(C(=O)N(C3CC3)C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-14(2)21-10-12-22(13-11-21)17-6-4-16(5-7-17)19(24)23(18-8-9-18)15(3)20(25)26/h4-7,14-15,18H,8-13H2,1-3H3,(H,25,26)
InChIKeyAIKHJEVKHOZOPJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.29
Rot. Bonds6

About 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid

2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid (PubChem CID 122067321) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
PubChem CID122067321
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
SMILESCC(C)N1CCN(c2ccc(C(=O)N(C3CC3)C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-14(2)21-10-12-22(13-11-21)17-6-4-16(5-7-17)19(24)23(18-8-9-18)15(3)20(25)26/h4-7,14-15,18H,8-13H2,1-3H3,(H,25,26)
InChIKeyAIKHJEVKHOZOPJ-UHFFFAOYSA-N
XLogP2.29
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic 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-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid (CID 122067321) is 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid is CC(C)N1CCN(c2ccc(C(=O)N(C3CC3)C(C)C(=O)O)cc2)CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
The InChIKey is AIKHJEVKHOZOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)21-10-12-22(13-11-21)17-6-4-16(5-7-17)19(24)23(18-8-9-18)15(3)20(25)26/h4-7,14-15,18H,8-13H2,1-3H3,(H,25,26).
What are the key properties of 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid has a molecular weight of 359.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 122067321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).