N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide

C12H21NO6 — CID 162270056

IUPACN-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1C(O)OC(CO)[C@@H](O)[C@@H]1O)C1CCCC1
InChIInChI=1S/C12H21NO6/c14-5-7-9(15)10(16)8(12(18)19-7)13-11(17)6-3-1-2-4-6/h6-10,12,14-16,18H,1-5H2,(H,13,17)/t7?,8?,9-,10-,12?/m1/s1
InChIKeyHRRFHLVVBYUBNG-HNZGFWTNSA-N
MW275.30 g/mol
LogP-1.91
Rot. Bonds3

About N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide

N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide (PubChem CID 162270056) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide
PubChem CID162270056
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC NameN-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide
SMILESO=C(NC1C(O)OC(CO)[C@@H](O)[C@@H]1O)C1CCCC1
InChIInChI=1S/C12H21NO6/c14-5-7-9(15)10(16)8(12(18)19-7)13-11(17)6-3-1-2-4-6/h6-10,12,14-16,18H,1-5H2,(H,13,17)/t7?,8?,9-,10-,12?/m1/s1
InChIKeyHRRFHLVVBYUBNG-HNZGFWTNSA-N
XLogP-1.91
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-1.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
acetic acid;N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 158802071
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
2-fluoro-N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 102170219
methyl N-[(2R,4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 140749767
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
1-methyl-3-[(2R,3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea
CID 100567156
2-sulfanyl-N-[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 138986916
2-fluoro-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 12896786

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide (CID 162270056) is N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide is O=C(NC1C(O)OC(CO)[C@@H](O)[C@@H]1O)C1CCCC1.
What is the InChIKey of N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide?
The InChIKey is HRRFHLVVBYUBNG-HNZGFWTNSA-N. The full InChI is InChI=1S/C12H21NO6/c14-5-7-9(15)10(16)8(12(18)19-7)13-11(17)6-3-1-2-4-6/h6-10,12,14-16,18H,1-5H2,(H,13,17)/t7?,8?,9-,10-,12?/m1/s1.
What are the key properties of N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide?
N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide has a molecular weight of 275.30 g/mol, XLogP of -1.91, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 162270056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).