2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C13H23NO6 — CID 107846690

IUPAC2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(CO)(CO)CO)C1
InChIInChI=1S/C13H23NO6/c1-2-8-3-9(10(4-8)12(19)20)11(18)14-13(5-15,6-16)7-17/h8-10,15-17H,2-7H2,1H3,(H,14,18)(H,19,20)
InChIKeyQAIZZBWIQRURGX-UHFFFAOYSA-N
MW289.33 g/mol
LogP-1.04
Rot. Bonds7

About 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 107846690) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID107846690
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(CO)(CO)CO)C1
InChIInChI=1S/C13H23NO6/c1-2-8-3-9(10(4-8)12(19)20)11(18)14-13(5-15,6-16)7-17/h8-10,15-17H,2-7H2,1H3,(H,14,18)(H,19,20)
InChIKeyQAIZZBWIQRURGX-UHFFFAOYSA-N
XLogP-1.04
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092465
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107846643
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178
cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092072
cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114092767
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699
cis-(1R,2S)-4-ethyl-2-(2,2,3,3-tetrafluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106290416
4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106348503

Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 107846690) is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NC(CO)(CO)CO)C1.
What is the InChIKey of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is QAIZZBWIQRURGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6/c1-2-8-3-9(10(4-8)12(19)20)11(18)14-13(5-15,6-16)7-17/h8-10,15-17H,2-7H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of -1.04, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107846690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).