N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide

C15H24N4O3 — CID 75536566

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O)C1CCCC1
InChIInChI=1S/C15H24N4O3/c20-14-12(17-6-11-5-16-9-19-11)8-22-13(14)7-18-15(21)10-3-1-2-4-10/h5,9-10,12-14,17,20H,1-4,6-8H2,(H,16,19)(H,18,21)/t12-,13-,14+/m1/s1
InChIKeyYPQVUGZBIROYOL-MCIONIFRSA-N
MW308.38 g/mol
LogP-0.07
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 75536566) 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-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID75536566
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O)C1CCCC1
InChIInChI=1S/C15H24N4O3/c20-14-12(17-6-11-5-16-9-19-11)8-22-13(14)7-18-15(21)10-3-1-2-4-10/h5,9-10,12-14,17,20H,1-4,6-8H2,(H,16,19)(H,18,21)/t12-,13-,14+/m1/s1
InChIKeyYPQVUGZBIROYOL-MCIONIFRSA-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)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536487
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536567
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536736
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
CID 86769414
3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42513681
1-[12,13-dihydroxy-6-(1H-imidazol-5-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]ethanone
CID 172640797
Ethanone, 1-[(11R,12R,13R)-12,13-dihydroxy-6-(1H-imidazol-5-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]-, rel-
CID 177842983
(2R,3S)-2-[(1H-imidazol-5-ylmethylamino)methyl]-5-methyloxolan-3-ol
CID 118527496
3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42513675
3-{1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-piperidinyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45222899
N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536480
N-(((2R,3S,4R)-4-(((1H-Imidazol-5-yl)methyl)amino)-3-hydroxytetrahydrofuran-2-yl)methyl)acetamide
CID 75536509

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide (CID 75536566) is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide is O=C(NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O)C1CCCC1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is YPQVUGZBIROYOL-MCIONIFRSA-N. The full InChI is InChI=1S/C15H24N4O3/c20-14-12(17-6-11-5-16-9-19-11)8-22-13(14)7-18-15(21)10-3-1-2-4-10/h5,9-10,12-14,17,20H,1-4,6-8H2,(H,16,19)(H,18,21)/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-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-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 75536566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).