4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

C12H18N4O4 — CID 66267520

IUPAC4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(Cc1ncc[nH]1)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-15(5-10-13-3-4-14-10)12(19)16(2)9-7-20-6-8(9)11(17)18/h3-4,8-9H,5-7H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyMZXUOZFUNSGGNM-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.01
Rot. Bonds4

About 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid

4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66267520) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66267520
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(Cc1ncc[nH]1)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-15(5-10-13-3-4-14-10)12(19)16(2)9-7-20-6-8(9)11(17)18/h3-4,8-9H,5-7H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyMZXUOZFUNSGGNM-UHFFFAOYSA-N
XLogP-0.01
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
CID 66258931
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519851
4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 64518115
2-[ethyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519075
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
CID 81002280
cis-(1R,3S)-3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319786
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238171
4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 114950868
N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65160478

Frequently Asked Questions

What is the IUPAC name of 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid (CID 66267520) is 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is CN(Cc1ncc[nH]1)C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is MZXUOZFUNSGGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15(5-10-13-3-4-14-10)12(19)16(2)9-7-20-6-8(9)11(17)18/h3-4,8-9H,5-7H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid?
4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).