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

C12H22N2O4 — CID 61190467

IUPAC2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(C(=O)NC(CO)C(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O4/c1-2-14(9-6-4-3-5-7-9)12(18)13-10(8-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyTXJCNBIPMJUUOE-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds5

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

2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid (PubChem CID 61190467) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
PubChem CID61190467
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
SMILESCCN(C(=O)NC(CO)C(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O4/c1-2-14(9-6-4-3-5-7-9)12(18)13-10(8-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyTXJCNBIPMJUUOE-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976340
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545
(2R)-4-amino-2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826230
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909830
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61190976
(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976157
4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61194306
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55006428
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
CID 54987589

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid (CID 61190467) is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid is CCN(C(=O)NC(CO)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is TXJCNBIPMJUUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-14(9-6-4-3-5-7-9)12(18)13-10(8-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid?
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61190467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).