N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide

C16H29NO6 — CID 75368036

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
SMILESCOCCOCC1(CNC(=O)C2CCOCC2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C16H29NO6/c1-21-6-7-23-11-16(8-13(18)14(19)9-16)10-17-15(20)12-2-4-22-5-3-12/h12-14,18-19H,2-11H2,1H3,(H,17,20)/t13-,14+,16?
InChIKeyRYYWUFWVRRMGTC-MZBDJJRSSA-N
MW331.41 g/mol
LogP-0.31
Rot. Bonds8

About N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide

N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide (PubChem CID 75368036) has the molecular formula C16H29NO6 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
PubChem CID75368036
Molecular FormulaC16H29NO6
Molecular Weight331.41 g/mol
Exact Mass331.20
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
SMILESCOCCOCC1(CNC(=O)C2CCOCC2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C16H29NO6/c1-21-6-7-23-11-16(8-13(18)14(19)9-16)10-17-15(20)12-2-4-22-5-3-12/h12-14,18-19H,2-11H2,1H3,(H,17,20)/t13-,14+,16?
InChIKeyRYYWUFWVRRMGTC-MZBDJJRSSA-N
XLogP-0.31
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide (CID 75368036) is N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide is COCCOCC1(CNC(=O)C2CCOCC2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
The InChIKey is RYYWUFWVRRMGTC-MZBDJJRSSA-N. The full InChI is InChI=1S/C16H29NO6/c1-21-6-7-23-11-16(8-13(18)14(19)9-16)10-17-15(20)12-2-4-22-5-3-12/h12-14,18-19H,2-11H2,1H3,(H,17,20)/t13-,14+,16?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide has a molecular weight of 331.41 g/mol, XLogP of -0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-dihydroxy-1-(2-methoxyethoxymethyl)cyclopentyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 75368036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).