N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide

C12H21NO4 — CID 75368076

IUPACN-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide
SMILESCOCC1(CNC(=O)C2CC2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H21NO4/c1-17-7-12(4-9(14)10(15)5-12)6-13-11(16)8-2-3-8/h8-10,14-15H,2-7H2,1H3,(H,13,16)/t9-,10+,12?
InChIKeyYADWYRQXVWDRJK-DHHPTOIESA-N
MW243.30 g/mol
LogP-0.34
Rot. Bonds5

About N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide

N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide (PubChem CID 75368076) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide
PubChem CID75368076
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide
SMILESCOCC1(CNC(=O)C2CC2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H21NO4/c1-17-7-12(4-9(14)10(15)5-12)6-13-11(16)8-2-3-8/h8-10,14-15H,2-7H2,1H3,(H,13,16)/t9-,10+,12?
InChIKeyYADWYRQXVWDRJK-DHHPTOIESA-N
XLogP-0.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide (CID 75368076) is N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide is COCC1(CNC(=O)C2CC2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide?
The InChIKey is YADWYRQXVWDRJK-DHHPTOIESA-N. The full InChI is InChI=1S/C12H21NO4/c1-17-7-12(4-9(14)10(15)5-12)6-13-11(16)8-2-3-8/h8-10,14-15H,2-7H2,1H3,(H,13,16)/t9-,10+,12?.
What are the key properties of N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide?
N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide has a molecular weight of 243.30 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 75368076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).