2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

C15H28N2O3 — CID 61190976

IUPAC2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCN(C(=O)NC(C(=O)O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-5-17(11-9-7-6-8-10-11)14(20)16-12(13(18)19)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyIGDMEKPQPLZRRY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds4

About 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid

2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 61190976) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID61190976
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCN(C(=O)NC(C(=O)O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-5-17(11-9-7-6-8-10-11)14(20)16-12(13(18)19)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyIGDMEKPQPLZRRY-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976340
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265940
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
(2R)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927983
(2R)-4-amino-2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826230
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909830
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61438999
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
3-[[cyclopentyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308124
(2S)-2-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54998374

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid (CID 61190976) is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid is CCN(C(=O)NC(C(=O)O)C(C)(C)C)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is IGDMEKPQPLZRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-17(11-9-7-6-8-10-11)14(20)16-12(13(18)19)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid?
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 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]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61190976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).