(2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid

C15H18N4O2 — CID 156500371

IUPAC(2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESNCc1ccccc1-n1ccnc1[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C15H18N4O2/c16-10-11-4-1-2-5-12(11)18-9-7-17-14(18)13-6-3-8-19(13)15(20)21/h1-2,4-5,7,9,13H,3,6,8,10,16H2,(H,20,21)/t13-/m0/s1
InChIKeySMCBHOFRBCFHAB-ZDUSSCGKSA-N
MW286.33 g/mol
LogP2.15
Rot. Bonds3

About (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid

(2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 156500371) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID156500371
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESNCc1ccccc1-n1ccnc1[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C15H18N4O2/c16-10-11-4-1-2-5-12(11)18-9-7-17-14(18)13-6-3-8-19(13)15(20)21/h1-2,4-5,7,9,13H,3,6,8,10,16H2,(H,20,21)/t13-/m0/s1
InChIKeySMCBHOFRBCFHAB-ZDUSSCGKSA-N
XLogP2.15
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid
CID 137498982
(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid
CID 146255710
benzyl N-[[2-[2-[(2S)-1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]imidazol-1-yl]phenyl]methyl]carbamate
CID 156500400
2-[8-amino-1-(6-phenylmethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylic acid
CID 146255681
benzyl 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylate
CID 175062089
benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
CID 86720303
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838423
cyclopentyl-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838436
2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72914128
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid (CID 156500371) is (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid is NCc1ccccc1-n1ccnc1[C@@H]1CCCN1C(=O)O.
What is the InChIKey of (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is SMCBHOFRBCFHAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-10-11-4-1-2-5-12(11)18-9-7-17-14(18)13-6-3-8-19(13)15(20)21/h1-2,4-5,7,9,13H,3,6,8,10,16H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid?
(2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[2-(aminomethyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 156500371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).