formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide

C14H22N4O4 — CID 154911071

IUPACformic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1.O=CO
InChIInChI=1S/C13H20N4O2.CH2O2/c1-16-7-4-14-12(16)13(18)15-10-8-19-9-11(10)17-5-2-3-6-17;2-1-3/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,15,18);1H,(H,2,3)/t10-,11-;/m0./s1
InChIKeyDMHIEQBSHMCKCV-ACMTZBLWSA-N
MW310.35 g/mol
LogP-0.29
Rot. Bonds3

About formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide

formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide (PubChem CID 154911071) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Nameformic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide
PubChem CID154911071
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Nameformic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1.O=CO
InChIInChI=1S/C13H20N4O2.CH2O2/c1-16-7-4-14-12(16)13(18)15-10-8-19-9-11(10)17-5-2-3-6-17;2-1-3/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,15,18);1H,(H,2,3)/t10-,11-;/m0./s1
InChIKeyDMHIEQBSHMCKCV-ACMTZBLWSA-N
XLogP-0.29
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122559298
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77080832
N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 133128415
2-methoxy-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 133267819
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide
CID 118788686
2,4-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 122565102
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169
5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 118790643
2-amino-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidine-4-carboxamide
CID 118778494
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide
CID 118786538

Frequently Asked Questions

What is the IUPAC name of formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide?
The IUPAC name of formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide (CID 154911071) is formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide.
What is the SMILES notation for formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide?
The canonical SMILES for formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide is Cn1ccnc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1.O=CO.
What is the InChIKey of formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide?
The InChIKey is DMHIEQBSHMCKCV-ACMTZBLWSA-N. The full InChI is InChI=1S/C13H20N4O2.CH2O2/c1-16-7-4-14-12(16)13(18)15-10-8-19-9-11(10)17-5-2-3-6-17;2-1-3/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,15,18);1H,(H,2,3)/t10-,11-;/m0./s1.
What are the key properties of formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide?
formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide is sourced from PubChem (CID 154911071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).