3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid

C12H22N2O3 — CID 61209232

IUPAC3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
SMILESCC(C)(C)CNC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)8-13-11(17)14(9-4-5-9)7-6-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOYKVJGXRDLQDSN-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds5

About 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid

3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid (PubChem CID 61209232) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
PubChem CID61209232
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
SMILESCC(C)(C)CNC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)8-13-11(17)14(9-4-5-9)7-6-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOYKVJGXRDLQDSN-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)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

Related Compounds

3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid
CID 106294879
3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 61200800
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287303
3-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]propanoic acid
CID 115426555
3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428386
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid
CID 103018270
3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
CID 106340311
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid (CID 61209232) is 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid is CC(C)(C)CNC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid?
The InChIKey is OYKVJGXRDLQDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)8-13-11(17)14(9-4-5-9)7-6-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid?
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61209232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).