2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid

C13H24N2O3 — CID 61265940

IUPAC2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-4-15(10-8-6-5-7-9-10)12(18)14-13(2,3)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyBTGXQGMKWSVAQC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds4

About 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid

2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 61265940) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID61265940
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-4-15(10-8-6-5-7-9-10)12(18)14-13(2,3)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyBTGXQGMKWSVAQC-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308124
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 64520201
2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55001073
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61190976
3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428386
N-cyclohexyl-N-ethyl-2-(ethylamino)-2-methylpropanamide
CID 62831377
N-cyclopentyl-N-ethyl-2-methyl-2-(methylamino)propanamide
CID 62836195
2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
CID 61188941
2-amino-N-cyclohexyl-N-ethyl-2-methylpropanamide
CID 56831871
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
2-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81222368

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 61265940) is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NC(C)(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is BTGXQGMKWSVAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-15(10-8-6-5-7-9-10)12(18)14-13(2,3)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61265940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).