3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid

C11H20N2O3 — CID 115428386

IUPAC3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCN(C(=O)NCC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-4-13(8-5-6-8)10(16)12-7-11(2,3)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyCHOXZTBMJAIZCJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds5

About 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid

3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 115428386) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID115428386
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCN(C(=O)NCC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-4-13(8-5-6-8)10(16)12-7-11(2,3)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyCHOXZTBMJAIZCJ-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic 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-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308124
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428628
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265940
3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
CID 106279068
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308163
4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838309
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428627

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid (CID 115428386) is 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid is CCN(C(=O)NCC(C)(C)C(=O)O)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is CHOXZTBMJAIZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-13(8-5-6-8)10(16)12-7-11(2,3)9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).