1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid

C14H20N4O3 — CID 107497710

IUPAC1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)N(CC2CC2)C2CC2)cn1
InChIInChI=1S/C14H20N4O3/c19-13(20)12-8-17(9-16-12)6-5-15-14(21)18(11-3-4-11)7-10-1-2-10/h8-11H,1-7H2,(H,15,21)(H,19,20)
InChIKeyIEDGBAFAEFMCLE-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.17
Rot. Bonds7

About 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid

1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497710) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497710
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)N(CC2CC2)C2CC2)cn1
InChIInChI=1S/C14H20N4O3/c19-13(20)12-8-17(9-16-12)6-5-15-14(21)18(11-3-4-11)7-10-1-2-10/h8-11H,1-7H2,(H,15,21)(H,19,20)
InChIKeyIEDGBAFAEFMCLE-UHFFFAOYSA-N
XLogP1.17
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid (CID 107497710) is 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is O=C(O)c1cn(CCNC(=O)N(CC2CC2)C2CC2)cn1.
What is the InChIKey of 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is IEDGBAFAEFMCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13(20)12-8-17(9-16-12)6-5-15-14(21)18(11-3-4-11)7-10-1-2-10/h8-11H,1-7H2,(H,15,21)(H,19,20).
What are the key properties of 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).