(2S)-N-butylpyrrolidine-2-carboxamide

C9H18N2O — CID 22691332

IUPAC(2S)-N-butylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H18N2O/c1-2-3-6-11-9(12)8-5-4-7-10-8/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyRLBYLDGJTSPAEL-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.65
Rot. Bonds4

About (2S)-N-butylpyrrolidine-2-carboxamide

(2S)-N-butylpyrrolidine-2-carboxamide (PubChem CID 22691332) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S)-N-butylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-butylpyrrolidine-2-carboxamide
PubChem CID22691332
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2S)-N-butylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H18N2O/c1-2-3-6-11-9(12)8-5-4-7-10-8/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyRLBYLDGJTSPAEL-QMMMGPOBSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propylpyrrolidine-2-carboxamide
CID 4984185
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 61163792
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
(2S)-N'-pentylpyrrolidine-2-carbohydrazide
CID 174372562
N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
CID 43591374
3-[[(2S)-pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CID 25008297
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
CID 115626529

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-butylpyrrolidine-2-carboxamide (CID 22691332) is (2S)-N-butylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-butylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-butylpyrrolidine-2-carboxamide is CCCCNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-butylpyrrolidine-2-carboxamide?
The InChIKey is RLBYLDGJTSPAEL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-6-11-9(12)8-5-4-7-10-8/h8,10H,2-7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-N-butylpyrrolidine-2-carboxamide?
(2S)-N-butylpyrrolidine-2-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butylpyrrolidine-2-carboxamide is sourced from PubChem (CID 22691332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).