1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H23N3O3 — CID 113312419

IUPAC1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N1CCN(C(=O)NCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(2)15-5-7-16(8-6-15)12(19)14-9-13(3-4-13)11(17)18/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyYXUCEMDZGFCYAL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.59
Rot. Bonds4

About 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312419) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312419
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N1CCN(C(=O)NCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(2)15-5-7-16(8-6-15)12(19)14-9-13(3-4-13)11(17)18/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyYXUCEMDZGFCYAL-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446651
1-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446252
1-[[[4-(dimethylamino)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451277
1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451319
4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 113310020
1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446802
4-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440266
1-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 103536430
1-[[(2,6-dimethylthiomorpholine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451682
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103320
1-[[(3,4-dimethylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434335

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 113312419) is 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is CC(C)N1CCN(C(=O)NCC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YXUCEMDZGFCYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(2)15-5-7-16(8-6-15)12(19)14-9-13(3-4-13)11(17)18/h10H,3-9H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).