(3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide

C19H32N2O3 — CID 99774273

IUPAC(3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H](O)C1CCCC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H32N2O3/c22-17(14-7-5-6-8-14)12-20-19(24)15-11-18(23)21(13-15)16-9-3-1-2-4-10-16/h14-17,22H,1-13H2,(H,20,24)/t15-,17-/m1/s1
InChIKeyDBANMBCNRBSGNK-NVXWUHKLSA-N
MW336.48 g/mol
LogP2.22
Rot. Bonds5

About (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 99774273) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID99774273
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H](O)C1CCCC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H32N2O3/c22-17(14-7-5-6-8-14)12-20-19(24)15-11-18(23)21(13-15)16-9-3-1-2-4-10-16/h14-17,22H,1-13H2,(H,20,24)/t15-,17-/m1/s1
InChIKeyDBANMBCNRBSGNK-NVXWUHKLSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167044
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
N-(2-cyclopropyl-2-hydroxyethyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 63294241
1-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866844
(3R)-1-cyclopentyl-N-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 124856375
(3R)-1-cyclopentyl-N-[(2S)-2-ethylhexyl]-5-oxopyrrolidine-3-carboxamide
CID 9364712
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110605730

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide (CID 99774273) is (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NC[C@@H](O)C1CCCC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DBANMBCNRBSGNK-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-17(14-7-5-6-8-14)12-20-19(24)15-11-18(23)21(13-15)16-9-3-1-2-4-10-16/h14-17,22H,1-13H2,(H,20,24)/t15-,17-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99774273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).