3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C14H25NO4 — CID 114145229

IUPAC3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCCC(CCO)CNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H25NO4/c1-4-5-9(6-7-16)8-15-12(17)10-11(13(18)19)14(10,2)3/h9-11,16H,4-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyJIXNUMODFXWHDN-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.26
Rot. Bonds8

About 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 114145229) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID114145229
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCCC(CCO)CNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H25NO4/c1-4-5-9(6-7-16)8-15-12(17)10-11(13(18)19)14(10,2)3/h9-11,16H,4-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyJIXNUMODFXWHDN-UHFFFAOYSA-N
XLogP1.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102903647
cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106114027
cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114132555
N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide
CID 103846773
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
3-amino-N-[2-(2-hydroxyethyl)pentyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106116632
(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide
CID 103873564
1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
ethyl 2-amino-3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropanoate
CID 106116797
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
CID 106116827
4-[[2-(2-hydroxyethyl)pentylcarbamoylamino]methyl]benzoic acid
CID 122020996

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 114145229) is 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CCCC(CCO)CNC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is JIXNUMODFXWHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-5-9(6-7-16)8-15-12(17)10-11(13(18)19)14(10,2)3/h9-11,16H,4-8H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)pentylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 114145229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).