(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

C14H27N3O2 — CID 9397964

IUPAC(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)NCCCN(C)C)CC1=O
InChIInChI=1S/C14H27N3O2/c1-4-5-9-17-11-12(10-13(17)18)14(19)15-7-6-8-16(2)3/h12H,4-11H2,1-3H3,(H,15,19)/t12-/m1/s1
InChIKeyVPJNUPGFDPBDQY-GFCCVEGCSA-N
MW269.39 g/mol
LogP0.70
Rot. Bonds8

About (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9397964) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9397964
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@H](C(=O)NCCCN(C)C)CC1=O
InChIInChI=1S/C14H27N3O2/c1-4-5-9-17-11-12(10-13(17)18)14(19)15-7-6-8-16(2)3/h12H,4-11H2,1-3H3,(H,15,19)/t12-/m1/s1
InChIKeyVPJNUPGFDPBDQY-GFCCVEGCSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
N-[3-(dimethylamino)propyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185402
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78781061
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
1-butyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4277124
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293

Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 9397964) is (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@H](C(=O)NCCCN(C)C)CC1=O.
What is the InChIKey of (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VPJNUPGFDPBDQY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-9-17-11-12(10-13(17)18)14(19)15-7-6-8-16(2)3/h12H,4-11H2,1-3H3,(H,15,19)/t12-/m1/s1.
What are the key properties of (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9397964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).