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

C12H18N4O3 — CID 107500471

IUPAC1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESNC1(CC(=O)NCCn2cnc(C(=O)O)c2)CCC1
InChIInChI=1S/C12H18N4O3/c13-12(2-1-3-12)6-10(17)14-4-5-16-7-9(11(18)19)15-8-16/h7-8H,1-6,13H2,(H,14,17)(H,18,19)
InChIKeyBBDCQUOBZBVQFX-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.03
Rot. Bonds6

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

1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107500471) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107500471
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESNC1(CC(=O)NCCn2cnc(C(=O)O)c2)CCC1
InChIInChI=1S/C12H18N4O3/c13-12(2-1-3-12)6-10(17)14-4-5-16-7-9(11(18)19)15-8-16/h7-8H,1-6,13H2,(H,14,17)(H,18,19)
InChIKeyBBDCQUOBZBVQFX-UHFFFAOYSA-N
XLogP-0.03
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107500471) is 1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid is NC1(CC(=O)NCCn2cnc(C(=O)O)c2)CCC1.
What is the InChIKey of 1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is BBDCQUOBZBVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-12(2-1-3-12)6-10(17)14-4-5-16-7-9(11(18)19)15-8-16/h7-8H,1-6,13H2,(H,14,17)(H,18,19).
What are the key properties of 1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107500471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).