N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide

C15H24N4O3 — CID 75536567

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O)C1CCCC1
InChIInChI=1S/C15H24N4O3/c20-14-11(18-8-13-16-5-6-17-13)9-22-12(14)7-19-15(21)10-3-1-2-4-10/h5-6,10-12,14,18,20H,1-4,7-9H2,(H,16,17)(H,19,21)/t11-,12-,14+/m1/s1
InChIKeyFDVRRBJZXKKNPI-BZPMIXESSA-N
MW308.38 g/mol
LogP-0.07
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 75536567) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID75536567
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O)C1CCCC1
InChIInChI=1S/C15H24N4O3/c20-14-11(18-8-13-16-5-6-17-13)9-22-12(14)7-19-15(21)10-3-1-2-4-10/h5-6,10-12,14,18,20H,1-4,7-9H2,(H,16,17)(H,19,21)/t11-,12-,14+/m1/s1
InChIKeyFDVRRBJZXKKNPI-BZPMIXESSA-N
XLogP-0.07
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536528
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536529
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536566
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536737
N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536470
N-[[(2R,3S,4R)-4-[bis[(1-methylimidazol-2-yl)methyl]amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536486
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide
CID 75536510
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536548
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536568
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
CID 75536585
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536760
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-imidazol-2-yl)methanone
CID 110155728

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide (CID 75536567) is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide is O=C(NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O)C1CCCC1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is FDVRRBJZXKKNPI-BZPMIXESSA-N. The full InChI is InChI=1S/C15H24N4O3/c20-14-11(18-8-13-16-5-6-17-13)9-22-12(14)7-19-15(21)10-3-1-2-4-10/h5-6,10-12,14,18,20H,1-4,7-9H2,(H,16,17)(H,19,21)/t11-,12-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 308.38 g/mol, XLogP of -0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 75536567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).