7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid

C16H29NO5 — CID 22815841

IUPAC7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1[C@@H](N2CCOCC2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C16H29NO5/c18-13-11-14(19)16(17-7-9-22-10-8-17)12(13)5-3-1-2-4-6-15(20)21/h12-14,16,18-19H,1-11H2,(H,20,21)/t12-,13-,14+,16+/m0/s1
InChIKeyIIRROIHZWWBFAE-TTZDDIAXSA-N
MW315.41 g/mol
LogP0.85
Rot. Bonds8

About 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid

7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid (PubChem CID 22815841) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid
PubChem CID22815841
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@@H]1[C@@H](N2CCOCC2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C16H29NO5/c18-13-11-14(19)16(17-7-9-22-10-8-17)12(13)5-3-1-2-4-6-15(20)21/h12-14,16,18-19H,1-11H2,(H,20,21)/t12-,13-,14+,16+/m0/s1
InChIKeyIIRROIHZWWBFAE-TTZDDIAXSA-N
XLogP0.85
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid (CID 22815841) is 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid is O=C(O)CCCCCC[C@@H]1[C@@H](N2CCOCC2)[C@H](O)C[C@@H]1O.
What is the InChIKey of 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid?
The InChIKey is IIRROIHZWWBFAE-TTZDDIAXSA-N. The full InChI is InChI=1S/C16H29NO5/c18-13-11-14(19)16(17-7-9-22-10-8-17)12(13)5-3-1-2-4-6-15(20)21/h12-14,16,18-19H,1-11H2,(H,20,21)/t12-,13-,14+,16+/m0/s1.
What are the key properties of 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid?
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid has a molecular weight of 315.41 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-morpholin-4-ylcyclopentyl]heptanoic acid is sourced from PubChem (CID 22815841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).