4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid

C13H23NO4 — CID 63783137

IUPAC4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCN(CCO)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-2-7-14(8-9-15)12(16)10-3-5-11(6-4-10)13(17)18/h10-11,15H,2-9H2,1H3,(H,17,18)
InChIKeyAWMITLPKTVLUPP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.11
Rot. Bonds6

About 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783137) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783137
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCCN(CCO)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-2-7-14(8-9-15)12(16)10-3-5-11(6-4-10)13(17)18/h10-11,15H,2-9H2,1H3,(H,17,18)
InChIKeyAWMITLPKTVLUPP-UHFFFAOYSA-N
XLogP1.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
CID 58434361
N-(2-hydroxyethyl)-N-propyloxane-4-carboxamide
CID 60670853
3-[bis(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783484
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
N,N-dipropylpiperidine-4-carboxamide;hydrochloride
CID 53410679
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
CID 82103692
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63783137) is 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid is CCCN(CCO)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is AWMITLPKTVLUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-7-14(8-9-15)12(16)10-3-5-11(6-4-10)13(17)18/h10-11,15H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).