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

C13H24N2O3 — CID 113308124

IUPAC3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCN(C(=O)NCC(C)(C)C(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-4-15(10-7-5-6-8-10)12(18)14-9-13(2,3)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyOJPFKXNHAFEQNO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds5

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

3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 113308124) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID113308124
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCN(C(=O)NCC(C)(C)C(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O3/c1-4-15(10-7-5-6-8-10)12(18)14-9-13(2,3)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyOJPFKXNHAFEQNO-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428386
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265940
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428628
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-cyclopentylamino]acetic acid
CID 106279068
4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61190976
2-[1-[[[cyclopentyl(ethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163144
3-[(2-ethylazepane-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113441841
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801
N-cyclopentyl-N-ethyl-2-methyl-2-(methylamino)propanamide
CID 62836195
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248233

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid (CID 113308124) is 3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid is CCN(C(=O)NCC(C)(C)C(=O)O)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is OJPFKXNHAFEQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-15(10-7-5-6-8-10)12(18)14-9-13(2,3)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid?
3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113308124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).