1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid

C8H11N3O2 — CID 65452666

IUPAC1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid
SMILESCn1ccnc1NC1(C(=O)O)CC1
InChIInChI=1S/C8H11N3O2/c1-11-5-4-9-7(11)10-8(2-3-8)6(12)13/h4-5H,2-3H2,1H3,(H,9,10)(H,12,13)
InChIKeyNTTOTRBJCIVUIN-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.45
Rot. Bonds3

About 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid

1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid (PubChem CID 65452666) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid
PubChem CID65452666
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid
SMILESCn1ccnc1NC1(C(=O)O)CC1
InChIInChI=1S/C8H11N3O2/c1-11-5-4-9-7(11)10-8(2-3-8)6(12)13/h4-5H,2-3H2,1H3,(H,9,10)(H,12,13)
InChIKeyNTTOTRBJCIVUIN-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)amino]cycloheptane-1-carboxylic acid
CID 62137475
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794
1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide
CID 127004619
1-[2-[(1-methylimidazol-2-yl)amino]ethyl]cyclobutan-1-ol
CID 131196729
2-methyl-4-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 80539688
N-cyclopropyl-2-[(1-methylimidazol-2-yl)amino]acetamide
CID 62133099
N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
CID 62133096
1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
CID 110470347
1-[(4-methylpyrimidin-2-yl)amino]cyclopropane-1-carboxylic acid
CID 65452469
2-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 62132542
2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
CID 62133098

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid (CID 65452666) is 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid is Cn1ccnc1NC1(C(=O)O)CC1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is NTTOTRBJCIVUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-5-4-9-7(11)10-8(2-3-8)6(12)13/h4-5H,2-3H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid?
1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65452666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).