(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide

C10H16N4O — CID 15296546

IUPAC(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C10H16N4O/c15-10(9-2-1-4-12-9)13-5-3-8-6-11-7-14-8/h6-7,9,12H,1-5H2,(H,11,14)(H,13,15)/t9-/m0/s1
InChIKeyNTSCIJOQEQIATB-VIFPVBQESA-N
MW208.26 g/mol
LogP-0.18
Rot. Bonds4

About (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 15296546) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID15296546
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C10H16N4O/c15-10(9-2-1-4-12-9)13-5-3-8-6-11-7-14-8/h6-7,9,12H,1-5H2,(H,11,14)(H,13,15)/t9-/m0/s1
InChIKeyNTSCIJOQEQIATB-VIFPVBQESA-N
XLogP-0.18
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
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(2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
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(2S)-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 91975220
N-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
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(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid
CID 102094819
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CID 18223715
2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide (CID 15296546) is (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1cnc[nH]1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is NTSCIJOQEQIATB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O/c15-10(9-2-1-4-12-9)13-5-3-8-6-11-7-14-8/h6-7,9,12H,1-5H2,(H,11,14)(H,13,15)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 15296546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).