5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid

C11H17N3O2 — CID 117193191

IUPAC5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
SMILESCC(C)n1c(CNC2CC2)cnc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-7(2)14-9(5-12-8-3-4-8)6-13-10(14)11(15)16/h6-8,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyVAPJLGIPXDPCQD-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.41
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid

5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid (PubChem CID 117193191) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
PubChem CID117193191
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
SMILESCC(C)n1c(CNC2CC2)cnc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-7(2)14-9(5-12-8-3-4-8)6-13-10(14)11(15)16/h6-8,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyVAPJLGIPXDPCQD-UHFFFAOYSA-N
XLogP1.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-1-methylimidazole-2-carboxylic acid
CID 117192841
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902
5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine
CID 117192903
2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid
CID 117180869
4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 66161861
2-(cyclopropylamino)-3-propan-2-ylimidazole-4-carboxylic acid
CID 117190547
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172120
2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol
CID 117180534
methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255978
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106458362
1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
CID 66131885
2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 66130556

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
The IUPAC name of 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid (CID 117193191) is 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid is CC(C)n1c(CNC2CC2)cnc1C(=O)O.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
The InChIKey is VAPJLGIPXDPCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)14-9(5-12-8-3-4-8)6-13-10(14)11(15)16/h6-8,12H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid?
5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-1-propan-2-ylimidazole-2-carboxylic acid is sourced from PubChem (CID 117193191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).