(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide

C9H14N4O — CID 64529963

IUPAC(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C9H14N4O/c14-9(7-2-1-3-10-7)13-6-8-11-4-5-12-8/h4-5,7,10H,1-3,6H2,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyHJSIEXDECMAJPM-ZETCQYMHSA-N
MW194.24 g/mol
LogP-0.22
Rot. Bonds3

About (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 64529963) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID64529963
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C9H14N4O/c14-9(7-2-1-3-10-7)13-6-8-11-4-5-12-8/h4-5,7,10H,1-3,6H2,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyHJSIEXDECMAJPM-ZETCQYMHSA-N
XLogP-0.22
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
CID 82916761
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978844
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-(1H-imidazol-2-ylmethyl)thiolane-2-carboxamide
CID 64531828
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
CID 64563265
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
2-prop-2-enyl-1H-imidazole;(2S)-pyrrolidine-2-carboxylic acid
CID 174605249
N-(1H-pyrrol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 82491181
(2R)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 104901495
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
(2S)-N-[[2,4,6-triethyl-3,5-bis[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 50906055

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide (CID 64529963) is (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ncc[nH]1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HJSIEXDECMAJPM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(7-2-1-3-10-7)13-6-8-11-4-5-12-8/h4-5,7,10H,1-3,6H2,(H,11,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 64529963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).