1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid

C11H16N4O3 — CID 107500551

IUPAC1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(CNC1CC1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H16N4O3/c16-10(5-13-8-1-2-8)12-3-4-15-6-9(11(17)18)14-7-15/h6-8,13H,1-5H2,(H,12,16)(H,17,18)
InChIKeyAFFADOXKABDTTL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.55
Rot. Bonds7

About 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid

1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107500551) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107500551
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(CNC1CC1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H16N4O3/c16-10(5-13-8-1-2-8)12-3-4-15-6-9(11(17)18)14-7-15/h6-8,13H,1-5H2,(H,12,16)(H,17,18)
InChIKeyAFFADOXKABDTTL-UHFFFAOYSA-N
XLogP-0.55
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107500551) is 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid is O=C(CNC1CC1)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is AFFADOXKABDTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(5-13-8-1-2-8)12-3-4-15-6-9(11(17)18)14-7-15/h6-8,13H,1-5H2,(H,12,16)(H,17,18).
What are the key properties of 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107500551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).