(1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid

C10H16O4 — CID 131215292

IUPAC(1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid
SMILESC[C@H](C(=O)O)[C@H]1CC[C@H](C)[C@H]1C(=O)O
InChIInChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6-,7+,8+/m0/s1
InChIKeyOIFCPZGZZQQDNO-RULNZFCNSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds3

About (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid

(1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid (PubChem CID 131215292) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid
PubChem CID131215292
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid
SMILESC[C@H](C(=O)O)[C@H]1CC[C@H](C)[C@H]1C(=O)O
InChIInChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6-,7+,8+/m0/s1
InChIKeyOIFCPZGZZQQDNO-RULNZFCNSA-N
XLogP1.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid (CID 131215292) is (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid is C[C@H](C(=O)O)[C@H]1CC[C@H](C)[C@H]1C(=O)O.
What is the InChIKey of (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid?
The InChIKey is OIFCPZGZZQQDNO-RULNZFCNSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6-,7+,8+/m0/s1.
What are the key properties of (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid?
(1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 131215292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).