1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

C12H17N3O3 — CID 114351450

IUPAC1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1cncn1C1CC1
InChIInChI=1S/C12H17N3O3/c16-10-3-11(12(17)18)14(6-10)5-9-4-13-7-15(9)8-1-2-8/h4,7-8,10-11,16H,1-3,5-6H2,(H,17,18)
InChIKeyMZYBQLLBVCXVBN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.24
Rot. Bonds4

About 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351450) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351450
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1cncn1C1CC1
InChIInChI=1S/C12H17N3O3/c16-10-3-11(12(17)18)14(6-10)5-9-4-13-7-15(9)8-1-2-8/h4,7-8,10-11,16H,1-3,5-6H2,(H,17,18)
InChIKeyMZYBQLLBVCXVBN-UHFFFAOYSA-N
XLogP0.24
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 66140474
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 66141271
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351830
5-cyclopropyl-1-[(3-cyclopropylimidazol-4-yl)methyl]triazole-4-carboxylic acid
CID 66148008
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 114351745
(2S,4R)-1-[(3,4-difluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 67774272
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351284
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 88652438
(2S,4R)-1-[[2-(benzylamino)pyrimidin-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 131912339
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351450) is 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1Cc1cncn1C1CC1.
What is the InChIKey of 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is MZYBQLLBVCXVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-3-11(12(17)18)14(6-10)5-9-4-13-7-15(9)8-1-2-8/h4,7-8,10-11,16H,1-3,5-6H2,(H,17,18).
What are the key properties of 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropylimidazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).