cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid

C16H29NO4 — CID 106114027

IUPACcis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCC(CCO)CNC(=O)[C@H]1CC(CC)C[C@H]1C(=O)O
InChIInChI=1S/C16H29NO4/c1-3-5-12(6-7-18)10-17-15(19)13-8-11(4-2)9-14(13)16(20)21/h11-14,18H,3-10H2,1-2H3,(H,17,19)(H,20,21)/t11?,12?,13-,14+/m0/s1
InChIKeyASVRZOALIPRBLI-CLRIEMFWSA-N
MW299.41 g/mol
LogP2.04
Rot. Bonds9

About cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106114027) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106114027
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namecis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCCC(CCO)CNC(=O)[C@H]1CC(CC)C[C@H]1C(=O)O
InChIInChI=1S/C16H29NO4/c1-3-5-12(6-7-18)10-17-15(19)13-8-11(4-2)9-14(13)16(20)21/h11-14,18H,3-10H2,1-2H3,(H,17,19)(H,20,21)/t11?,12?,13-,14+/m0/s1
InChIKeyASVRZOALIPRBLI-CLRIEMFWSA-N
XLogP2.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106114027) is cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid is CCCC(CCO)CNC(=O)[C@H]1CC(CC)C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ASVRZOALIPRBLI-CLRIEMFWSA-N. The full InChI is InChI=1S/C16H29NO4/c1-3-5-12(6-7-18)10-17-15(19)13-8-11(4-2)9-14(13)16(20)21/h11-14,18H,3-10H2,1-2H3,(H,17,19)(H,20,21)/t11?,12?,13-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106114027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).