(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide

C9H17N3O — CID 130690073

IUPAC(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCNC1)[C@@H]1CCCN1
InChIInChI=1S/C9H17N3O/c13-9(8-2-1-4-11-8)12-7-3-5-10-6-7/h7-8,10-11H,1-6H2,(H,12,13)/t7?,8-/m0/s1
InChIKeyHIUKJBMJCBKYQZ-MQWKRIRWSA-N
MW183.25 g/mol
LogP-0.78
Rot. Bonds2

About (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide

(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide (PubChem CID 130690073) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
PubChem CID130690073
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCNC1)[C@@H]1CCCN1
InChIInChI=1S/C9H17N3O/c13-9(8-2-1-4-11-8)12-7-3-5-10-6-7/h7-8,10-11H,1-6H2,(H,12,13)/t7?,8-/m0/s1
InChIKeyHIUKJBMJCBKYQZ-MQWKRIRWSA-N
XLogP-0.78
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
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(2S)-N-cyclopent-3-en-1-ylpyrrolidine-2-carboxamide
CID 104863890
N-cyclopentylazepane-2-carboxamide
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N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
N-(thian-4-yl)pyrrolidine-2-carboxamide
CID 115626530
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
(3R)-N-pyrrolidin-3-ylmorpholine-3-carboxamide;hydrochloride
CID 130748088
N-(3-hydroxycyclohexyl)pyrrolidine-2-carboxamide
CID 43696094
(2R)-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 93469163
N-cyclopropylpiperazine-2-carboxamide
CID 83806832

Frequently Asked Questions

What is the IUPAC name of (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide (CID 130690073) is (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide is O=C(NC1CCNC1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is HIUKJBMJCBKYQZ-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H17N3O/c13-9(8-2-1-4-11-8)12-7-3-5-10-6-7/h7-8,10-11H,1-6H2,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide?
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 183.25 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 130690073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).