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

C12H17N3O2 — CID 66140474

IUPAC1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cncn2C2CC2)C1
InChIInChI=1S/C12H17N3O2/c16-12(17)9-3-4-14(6-9)7-11-5-13-8-15(11)10-1-2-10/h5,8-10H,1-4,6-7H2,(H,16,17)
InChIKeyYTZABFJTRWMTDO-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.12
Rot. Bonds4

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

1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 66140474) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID66140474
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cncn2C2CC2)C1
InChIInChI=1S/C12H17N3O2/c16-12(17)9-3-4-14(6-9)7-11-5-13-8-15(11)10-1-2-10/h5,8-10H,1-4,6-7H2,(H,16,17)
InChIKeyYTZABFJTRWMTDO-UHFFFAOYSA-N
XLogP1.12
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 66141891
(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 115302453
1-[(3-cyclopropylimidazol-4-yl)methyl]azepane-2-carboxylic acid
CID 66141272
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol
CID 82691745
1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]piperidine-4-carboxylic acid
CID 77085342
1-[(3-cyclopropylimidazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 66142293
1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
CID 126900325
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
1-(1,2-oxazol-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63032730
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 104823895
1-[(3-cyclopentylimidazol-4-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 72879340

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid (CID 66140474) is 1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2cncn2C2CC2)C1.
What is the InChIKey of 1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YTZABFJTRWMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(17)9-3-4-14(6-9)7-11-5-13-8-15(11)10-1-2-10/h5,8-10H,1-4,6-7H2,(H,16,17).
What are the key properties of 1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66140474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).