(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide

C17H30N4O — CID 98202993

IUPAC(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)CN1CCCC1
InChIInChI=1S/C17H30N4O/c1-15(13-19-7-2-3-8-19)12-18-17(22)21-11-6-16(14-21)20-9-4-5-10-20/h4-5,15-16H,2-3,6-14H2,1H3,(H,18,22)/t15-,16+/m1/s1
InChIKeyUCCIGPJBAHWHOJ-CVEARBPZSA-N
MW306.45 g/mol
LogP1.37
Rot. Bonds5

About (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide

(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide (PubChem CID 98202993) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide
PubChem CID98202993
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)CN1CCCC1
InChIInChI=1S/C17H30N4O/c1-15(13-19-7-2-3-8-19)12-18-17(22)21-11-6-16(14-21)20-9-4-5-10-20/h4-5,15-16H,2-3,6-14H2,1H3,(H,18,22)/t15-,16+/m1/s1
InChIKeyUCCIGPJBAHWHOJ-CVEARBPZSA-N
XLogP1.37
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,6R)-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100859845
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide
CID 95967582
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
CID 98203455
2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
CID 65226508
N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
CID 96520406
(3R)-N-[2-[(2-cyclopentylacetyl)amino]ethyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98203475
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone
CID 60961230
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725741
3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81067589
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725740

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide (CID 98202993) is (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide is C[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)CN1CCCC1.
What is the InChIKey of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is UCCIGPJBAHWHOJ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H30N4O/c1-15(13-19-7-2-3-8-19)12-18-17(22)21-11-6-16(14-21)20-9-4-5-10-20/h4-5,15-16H,2-3,6-14H2,1H3,(H,18,22)/t15-,16+/m1/s1.
What are the key properties of (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide?
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 98202993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).