1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate

C10H17N3O3 — CID 107499337

IUPAC1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate
SMILESCOCC(C)OC(=O)c1cn(CCN)cn1
InChIInChI=1S/C10H17N3O3/c1-8(6-15-2)16-10(14)9-5-13(4-3-11)7-12-9/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyPEFOXIXQUDCZNZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.03
Rot. Bonds6

About 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate

1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate (PubChem CID 107499337) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate
PubChem CID107499337
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate
SMILESCOCC(C)OC(=O)c1cn(CCN)cn1
InChIInChI=1S/C10H17N3O3/c1-8(6-15-2)16-10(14)9-5-13(4-3-11)7-12-9/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyPEFOXIXQUDCZNZ-UHFFFAOYSA-N
XLogP0.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

pentyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499310
1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
CID 107499326
methyl 3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-methylamino]-2-methylpropanoate
CID 107497281
methyl (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-methylpentanoate
CID 107499600
1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
CID 107499702
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 106202988
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide
CID 107498305
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
1-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-carboxamide
CID 114158942

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate (CID 107499337) is 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate is COCC(C)OC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate?
The InChIKey is PEFOXIXQUDCZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8(6-15-2)16-10(14)9-5-13(4-3-11)7-12-9/h5,7-8H,3-4,6,11H2,1-2H3.
What are the key properties of 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate?
1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 1-(2-aminoethyl)imidazole-4-carboxylate is sourced from PubChem (CID 107499337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).