1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide

C12H18N4O5 — CID 69169182

IUPAC1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(n2ccnc2[C@@H]2O[C@H](C(N)O)[C@@H](O)[C@H]2O)CC1
InChIInChI=1S/C12H18N4O5/c13-9(19)7-5(17)6(18)8(21-7)10-15-3-4-16(10)12(1-2-12)11(14)20/h3-9,17-19H,1-2,13H2,(H2,14,20)/t5-,6+,7-,8+,9?/m0/s1
InChIKeyOZHFUUQEMYQSNK-WUQSDXJHSA-N
MW298.30 g/mol
LogP-2.70
Rot. Bonds4

About 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide

1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide (PubChem CID 69169182) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide
PubChem CID69169182
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(n2ccnc2[C@@H]2O[C@H](C(N)O)[C@@H](O)[C@H]2O)CC1
InChIInChI=1S/C12H18N4O5/c13-9(19)7-5(17)6(18)8(21-7)10-15-3-4-16(10)12(1-2-12)11(14)20/h3-9,17-19H,1-2,13H2,(H2,14,20)/t5-,6+,7-,8+,9?/m0/s1
InChIKeyOZHFUUQEMYQSNK-WUQSDXJHSA-N
XLogP-2.70
TPSA156.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-2.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide (CID 69169182) is 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide is NC(=O)C1(n2ccnc2[C@@H]2O[C@H](C(N)O)[C@@H](O)[C@H]2O)CC1.
What is the InChIKey of 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide?
The InChIKey is OZHFUUQEMYQSNK-WUQSDXJHSA-N. The full InChI is InChI=1S/C12H18N4O5/c13-9(19)7-5(17)6(18)8(21-7)10-15-3-4-16(10)12(1-2-12)11(14)20/h3-9,17-19H,1-2,13H2,(H2,14,20)/t5-,6+,7-,8+,9?/m0/s1.
What are the key properties of 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide?
1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide has a molecular weight of 298.30 g/mol, XLogP of -2.70, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 69169182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).