N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide

C10H20N2O3 — CID 58543409

IUPACN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide
SMILESCNC[C@H]1C[C@H](CNC(C)=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20N2O3/c1-6(13)12-5-8-3-7(4-11-2)9(14)10(8)15/h7-11,14-15H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9-,10-/m1/s1
InChIKeyJKMVEIYMSZEFQK-ZYUZMQFOSA-N
MW216.28 g/mol
LogP-1.30
Rot. Bonds4

About N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide

N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide (PubChem CID 58543409) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide
PubChem CID58543409
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide
SMILESCNC[C@H]1C[C@H](CNC(C)=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20N2O3/c1-6(13)12-5-8-3-7(4-11-2)9(14)10(8)15/h7-11,14-15H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9-,10-/m1/s1
InChIKeyJKMVEIYMSZEFQK-ZYUZMQFOSA-N
XLogP-1.30
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide?
The IUPAC name of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide (CID 58543409) is N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide is CNC[C@H]1C[C@H](CNC(C)=O)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide?
The InChIKey is JKMVEIYMSZEFQK-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(13)12-5-8-3-7(4-11-2)9(14)10(8)15/h7-11,14-15H,3-5H2,1-2H3,(H,12,13)/t7-,8-,9-,10-/m1/s1.
What are the key properties of N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide?
N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide has a molecular weight of 216.28 g/mol, XLogP of -1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,3R,4R)-2,3-dihydroxy-4-(methylaminomethyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 58543409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).