(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide

C14H27N3O — CID 61273549

IUPAC(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(CNC(=O)[C@@H]1CCCN1)N1CCCC1
InChIInChI=1S/C14H27N3O/c1-11(2)13(17-8-3-4-9-17)10-16-14(18)12-6-5-7-15-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t12-,13?/m0/s1
InChIKeyWBYXGXVFIVNHKI-UEWDXFNNSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds5

About (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide

(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide (PubChem CID 61273549) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
PubChem CID61273549
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(CNC(=O)[C@@H]1CCCN1)N1CCCC1
InChIInChI=1S/C14H27N3O/c1-11(2)13(17-8-3-4-9-17)10-16-14(18)12-6-5-7-15-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t12-,13?/m0/s1
InChIKeyWBYXGXVFIVNHKI-UEWDXFNNSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 61165549
4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide
CID 114428726
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 54906567
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 61165570
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
(2R)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-2-carboxamide
CID 103814027
N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119857772
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]morpholine-3-carboxamide;dihydrochloride
CID 119849807
(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
CID 148575646
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide (CID 61273549) is (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide is CC(C)C(CNC(=O)[C@@H]1CCCN1)N1CCCC1.
What is the InChIKey of (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is WBYXGXVFIVNHKI-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)13(17-8-3-4-9-17)10-16-14(18)12-6-5-7-15-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t12-,13?/m0/s1.
What are the key properties of (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61273549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).