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

C16H26N4O3 — CID 75536568

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O
InChIInChI=1S/C16H26N4O3/c1-20-7-6-17-14(20)9-18-12-10-23-13(15(12)21)8-19-16(22)11-4-2-3-5-11/h6-7,11-13,15,18,21H,2-5,8-10H2,1H3,(H,19,22)/t12-,13-,15+/m1/s1
InChIKeyLIURLLYYXYDRIX-NFAWXSAZSA-N
MW322.41 g/mol
LogP-0.06
Rot. Bonds6

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

N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 75536568) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID75536568
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O
InChIInChI=1S/C16H26N4O3/c1-20-7-6-17-14(20)9-18-12-10-23-13(15(12)21)8-19-16(22)11-4-2-3-5-11/h6-7,11-13,15,18,21H,2-5,8-10H2,1H3,(H,19,22)/t12-,13-,15+/m1/s1
InChIKeyLIURLLYYXYDRIX-NFAWXSAZSA-N
XLogP-0.06
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]cyclopentanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide (CID 75536568) is N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide is Cn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is LIURLLYYXYDRIX-NFAWXSAZSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-20-7-6-17-14(20)9-18-12-10-23-13(15(12)21)8-19-16(22)11-4-2-3-5-11/h6-7,11-13,15,18,21H,2-5,8-10H2,1H3,(H,19,22)/t12-,13-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of -0.06, 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]cyclopentanecarboxamide is sourced from PubChem (CID 75536568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).