2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid

C9H13N3O2 — CID 62131478

IUPAC2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid
SMILESCn1ccnc1N(CC(=O)O)C1CC1
InChIInChI=1S/C9H13N3O2/c1-11-5-4-10-9(11)12(6-8(13)14)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyXYTOSNUPRNMJOD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.47
Rot. Bonds4

About 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid

2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid (PubChem CID 62131478) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid
PubChem CID62131478
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid
SMILESCn1ccnc1N(CC(=O)O)C1CC1
InChIInChI=1S/C9H13N3O2/c1-11-5-4-10-9(11)12(6-8(13)14)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyXYTOSNUPRNMJOD-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(1-methyl-5-nitroimidazol-2-yl)amino]acetic acid
CID 83843151
2-[butan-2-yl-(1-methylimidazol-2-yl)amino]acetic acid
CID 62131479
2-[cyclopropyl(pyrazin-2-yl)amino]acetic acid
CID 60838156
2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467
N'-cyclohexyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
CID 62132183
2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
CID 114474311
2-[cyclopropyl-(3,5-dimethyl-4-pyridinyl)amino]acetic acid
CID 83837701
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62132381
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
3-[cyclopropyl-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 63025549
2-[cyclopropyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]acetic acid
CID 54946187

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid (CID 62131478) is 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid is Cn1ccnc1N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid?
The InChIKey is XYTOSNUPRNMJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-5-4-10-9(11)12(6-8(13)14)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid?
2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-methylimidazol-2-yl)amino]acetic acid is sourced from PubChem (CID 62131478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).