N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide

C12H21N3O2 — CID 113235709

IUPACN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1)C(=O)N1CCCC1
InChIInChI=1S/C12H21N3O2/c1-9(12(17)15-7-2-3-8-15)14-11(16)10-5-4-6-13-10/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyBTTFOFFVJOBWCA-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds3

About N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide

N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 113235709) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID113235709
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1)C(=O)N1CCCC1
InChIInChI=1S/C12H21N3O2/c1-9(12(17)15-7-2-3-8-15)14-11(16)10-5-4-6-13-10/h9-10,13H,2-8H2,1H3,(H,14,16)
InChIKeyBTTFOFFVJOBWCA-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119292041
1-[2-(pyrrolidine-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 14600585
(2R)-1-[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 145457377
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 61467430
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 134826636
N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 53015059
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide (CID 113235709) is N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1)C(=O)N1CCCC1.
What is the InChIKey of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is BTTFOFFVJOBWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(12(17)15-7-2-3-8-15)14-11(16)10-5-4-6-13-10/h9-10,13H,2-8H2,1H3,(H,14,16).
What are the key properties of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 113235709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).