2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid

C12H19N3O2 — CID 83049344

IUPAC2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1ccnc1CNC1CC1
InChIInChI=1S/C12H19N3O2/c1-2-3-10(12(16)17)15-7-6-13-11(15)8-14-9-4-5-9/h6-7,9-10,14H,2-5,8H2,1H3,(H,16,17)
InChIKeyYJQREJWUWYJPGU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.56
Rot. Bonds7

About 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid

2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid (PubChem CID 83049344) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid
PubChem CID83049344
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1ccnc1CNC1CC1
InChIInChI=1S/C12H19N3O2/c1-2-3-10(12(16)17)15-7-6-13-11(15)8-14-9-4-5-9/h6-7,9-10,14H,2-5,8H2,1H3,(H,16,17)
InChIKeyYJQREJWUWYJPGU-UHFFFAOYSA-N
XLogP1.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid (CID 83049344) is 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid is CCCC(C(=O)O)n1ccnc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid?
The InChIKey is YJQREJWUWYJPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-10(12(16)17)15-7-6-13-11(15)8-14-9-4-5-9/h6-7,9-10,14H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid?
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid is sourced from PubChem (CID 83049344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).