cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C14H23NO4 — CID 122066588

IUPACcis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(CC1CCCC1O)C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C
InChIInChI=1S/C14H23NO4/c1-14(2)10(11(14)13(18)19)12(17)15(3)7-8-5-4-6-9(8)16/h8-11,16H,4-7H2,1-3H3,(H,18,19)/t8?,9?,10-,11+/m0/s1
InChIKeyCBRCMZGOJQWZSK-WFBLGPOFSA-N
MW269.34 g/mol
LogP0.96
Rot. Bonds4

About cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 122066588) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID122066588
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namecis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(CC1CCCC1O)C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C
InChIInChI=1S/C14H23NO4/c1-14(2)10(11(14)13(18)19)12(17)15(3)7-8-5-4-6-9(8)16/h8-11,16H,4-7H2,1-3H3,(H,18,19)/t8?,9?,10-,11+/m0/s1
InChIKeyCBRCMZGOJQWZSK-WFBLGPOFSA-N
XLogP0.96
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-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

3-[(2-hydroxycyclohexyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 102631700
cis-(1R,3S)-2,2-dimethyl-3-[methyl(oxan-4-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092348
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
cis-(1S,3R)-3-[2-[cyclopropyl(methyl)amino]ethyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066515
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 109400314
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea
CID 109398834
1-benzoyl-N-[(2-hydroxycyclopentyl)methyl]-N-methylpiperidine-3-carboxamide
CID 109399792
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-phenylbenzamide
CID 109400318
2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835983
2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978797
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-phenylpiperidin-4-yl)urea
CID 109398500
3-[(2-hydroxycyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834681

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 122066588) is cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CN(CC1CCCC1O)C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C.
What is the InChIKey of cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is CBRCMZGOJQWZSK-WFBLGPOFSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2)10(11(14)13(18)19)12(17)15(3)7-8-5-4-6-9(8)16/h8-11,16H,4-7H2,1-3H3,(H,18,19)/t8?,9?,10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 122066588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).