(3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide

C19H36N4O — CID 58689072

IUPAC(3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide
SMILESCN[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCCC3CCCC3)C2)C1
InChIInChI=1S/C19H36N4O/c1-20-17-9-13-23(14-17)19(24)21(2)18-10-12-22(15-18)11-5-8-16-6-3-4-7-16/h16-18,20H,3-15H2,1-2H3/t17-,18+/m0/s1
InChIKeyITTGAFZVLCIDSH-ZWKOTPCHSA-N
MW336.52 g/mol
LogP2.38
Rot. Bonds6

About (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide

(3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide (PubChem CID 58689072) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide
PubChem CID58689072
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name(3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide
SMILESCN[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCCC3CCCC3)C2)C1
InChIInChI=1S/C19H36N4O/c1-20-17-9-13-23(14-17)19(24)21(2)18-10-12-22(15-18)11-5-8-16-6-3-4-7-16/h16-18,20H,3-15H2,1-2H3/t17-,18+/m0/s1
InChIKeyITTGAFZVLCIDSH-ZWKOTPCHSA-N
XLogP2.38
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide (CID 58689072) is (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide is CN[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCCC3CCCC3)C2)C1.
What is the InChIKey of (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide?
The InChIKey is ITTGAFZVLCIDSH-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H36N4O/c1-20-17-9-13-23(14-17)19(24)21(2)18-10-12-22(15-18)11-5-8-16-6-3-4-7-16/h16-18,20H,3-15H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide?
(3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide has a molecular weight of 336.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3R)-1-(3-cyclopentylpropyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 58689072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).