N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide

C15H28N2O2 — CID 96800983

IUPACN-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide
SMILESCCO[C@@H](CCNC(=O)N1CCCC1)C1CCCC1
InChIInChI=1S/C15H28N2O2/c1-2-19-14(13-7-3-4-8-13)9-10-16-15(18)17-11-5-6-12-17/h13-14H,2-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyOCLPQASDALKLFD-AWEZNQCLSA-N
MW268.40 g/mol
LogP2.78
Rot. Bonds6

About N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide

N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide (PubChem CID 96800983) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide
PubChem CID96800983
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide
SMILESCCO[C@@H](CCNC(=O)N1CCCC1)C1CCCC1
InChIInChI=1S/C15H28N2O2/c1-2-19-14(13-7-3-4-8-13)9-10-16-15(18)17-11-5-6-12-17/h13-14H,2-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyOCLPQASDALKLFD-AWEZNQCLSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide (CID 96800983) is N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide is CCO[C@@H](CCNC(=O)N1CCCC1)C1CCCC1.
What is the InChIKey of N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide?
The InChIKey is OCLPQASDALKLFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-19-14(13-7-3-4-8-13)9-10-16-15(18)17-11-5-6-12-17/h13-14H,2-12H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide?
N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-cyclopentyl-3-ethoxypropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 96800983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).