N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide

C14H22N4O3 — CID 75536548

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)C2CC2)[C@H]1O
InChIInChI=1S/C14H22N4O3/c1-18-5-4-15-12(18)7-16-10-8-21-11(13(10)19)6-17-14(20)9-2-3-9/h4-5,9-11,13,16,19H,2-3,6-8H2,1H3,(H,17,20)/t10-,11-,13+/m1/s1
InChIKeyAHWYHIFLXPOAFK-WZRBSPASSA-N
MW294.35 g/mol
LogP-0.84
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 75536548) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID75536548
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)C2CC2)[C@H]1O
InChIInChI=1S/C14H22N4O3/c1-18-5-4-15-12(18)7-16-10-8-21-11(13(10)19)6-17-14(20)9-2-3-9/h4-5,9-11,13,16,19H,2-3,6-8H2,1H3,(H,17,20)/t10-,11-,13+/m1/s1
InChIKeyAHWYHIFLXPOAFK-WZRBSPASSA-N
XLogP-0.84
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-2-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536567
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)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536761
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 97345872
(2S,3R,4S)-2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol
CID 125417235
(2S,3R,4S)-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol
CID 125417535
2,2-difluoro-3-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 136581055
2-[(4,4-Difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol
CID 162799890
2-[(3,3-Difluoropyrrolidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol
CID 163051603
1-[2-[(2S,3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]imidazol-1-yl]cyclopropane-1-carboxamide
CID 69169182

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide (CID 75536548) is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide is Cn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)C2CC2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is AHWYHIFLXPOAFK-WZRBSPASSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-18-5-4-15-12(18)7-16-10-8-21-11(13(10)19)6-17-14(20)9-2-3-9/h4-5,9-11,13,16,19H,2-3,6-8H2,1H3,(H,17,20)/t10-,11-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 294.35 g/mol, XLogP of -0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 75536548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).