methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate

C14H23NO6 — CID 28961054

IUPACmethyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H23NO6/c1-20-11(16)6-9-12(17)13(18)10(21-9)7-15-14(19)8-4-2-3-5-8/h8-10,12-13,17-18H,2-7H2,1H3,(H,15,19)/t9-,10+,12-,13+/m0/s1
InChIKeyOUOAYOJHMQKXLS-JULQROHOSA-N
MW301.34 g/mol
LogP-0.65
Rot. Bonds5

About methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate

methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate (PubChem CID 28961054) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate
PubChem CID28961054
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Namemethyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H23NO6/c1-20-11(16)6-9-12(17)13(18)10(21-9)7-15-14(19)8-4-2-3-5-8/h8-10,12-13,17-18H,2-7H2,1H3,(H,15,19)/t9-,10+,12-,13+/m0/s1
InChIKeyOUOAYOJHMQKXLS-JULQROHOSA-N
XLogP-0.65
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate with MolForge

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Related Compounds

5-[1-(Acetylamino)-3-Methylbutyl]-2,5-Anhydro-3,4-Dideoxy-4-(Methoxycarbonyl)Pentonic Acid
CID 449201
5-(1-Acetamido-3-methylbutyl)-4-methoxycarbonyloxolane-2-carboxylic acid
CID 18669526
2-[[(3S,4S)-2,3,5,6-tetrahydroxy-4-[[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexanoyl]amino]ethyl 2-hydroxypropanoate
CID 57667542
5-(1-Acetamido-3-methylbutyl)oxolane-2,4-dicarboxylic acid
CID 70200724
5-(1-Acetamidopentan-2-yl)-4-methoxycarbonyloxolane-2-carboxylic acid
CID 70206901
2-[[(3R,4R)-2,3,5,6-tetrahydroxy-4-[[(2R,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexanoyl]amino]ethyl 2-hydroxypropanoate
CID 70920345
7-[(2,3,5,6-Tetrahydroxy-4-methylhexanoyl)amino]heptanoic acid
CID 88866584
2-(2,3,4,5,6-Pentahydroxyhexanoylamino)ethyl 2-methylbutanoate
CID 117723202
2-[(1R,2R,3R,4R,5R)-4-acetamido-2,3-dihydroxy-8-oxabicyclo[3.2.1]octan-1-yl]acetic acid
CID 129015250
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide
CID 138523296
2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-nonylacetamide
CID 138523299
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-heptyl-2-hydroxyacetamide
CID 138523303

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate (CID 28961054) is methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate is COC(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O.
What is the InChIKey of methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate?
The InChIKey is OUOAYOJHMQKXLS-JULQROHOSA-N. The full InChI is InChI=1S/C14H23NO6/c1-20-11(16)6-9-12(17)13(18)10(21-9)7-15-14(19)8-4-2-3-5-8/h8-10,12-13,17-18H,2-7H2,1H3,(H,15,19)/t9-,10+,12-,13+/m0/s1.
What are the key properties of methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate?
methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate has a molecular weight of 301.34 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3R,4S,5R)-5-[(cyclopentanecarbonylamino)methyl]-3,4-dihydroxyoxolan-2-yl]acetate is sourced from PubChem (CID 28961054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).