2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid

C12H17N3O3 — CID 66141667

IUPAC2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1cncn1C1CC1)N1CCOCC1
InChIInChI=1S/C12H17N3O3/c16-12(17)11(14-3-5-18-6-4-14)10-7-13-8-15(10)9-1-2-9/h7-9,11H,1-6H2,(H,16,17)
InChIKeySSYRYZGMKDHNCY-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.68
Rot. Bonds4

About 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid

2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid (PubChem CID 66141667) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid
PubChem CID66141667
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1cncn1C1CC1)N1CCOCC1
InChIInChI=1S/C12H17N3O3/c16-12(17)11(14-3-5-18-6-4-14)10-7-13-8-15(10)9-1-2-9/h7-9,11H,1-6H2,(H,16,17)
InChIKeySSYRYZGMKDHNCY-UHFFFAOYSA-N
XLogP0.68
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 66141668
3-(oxan-4-yl)imidazole-4-carboxylic acid
CID 83679108
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
CID 66140041
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83014002
(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide
CID 79026971
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
3-(3-cyclopropylimidazol-4-yl)-3-(diethylamino)propanoic acid
CID 66142290
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
CID 79981052
3-cyclopentylimidazole-4-carboxylic acid
CID 83875408
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
2-morpholin-4-yl-2-pyridin-4-ylacetamide
CID 25219323

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid (CID 66141667) is 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid is O=C(O)C(c1cncn1C1CC1)N1CCOCC1.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid?
The InChIKey is SSYRYZGMKDHNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-12(17)11(14-3-5-18-6-4-14)10-7-13-8-15(10)9-1-2-9/h7-9,11H,1-6H2,(H,16,17).
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid?
2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 66141667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).