[(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate

C15H25NO6 — CID 139295247

IUPAC[(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate
SMILESCCCC(=O)N[C@H]1C(C)O[C@H](COC(=O)C2CC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H25NO6/c1-3-4-11(17)16-12-8(2)22-10(13(18)14(12)19)7-21-15(20)9-5-6-9/h8-10,12-14,18-19H,3-7H2,1-2H3,(H,16,17)/t8?,10-,12+,13-,14-/m1/s1
InChIKeyOPKNPBYMACEIQW-UBGIILAESA-N
MW315.37 g/mol
LogP-0.27
Rot. Bonds6

About [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate

[(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate (PubChem CID 139295247) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate
PubChem CID139295247
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Name[(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate
SMILESCCCC(=O)N[C@H]1C(C)O[C@H](COC(=O)C2CC2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H25NO6/c1-3-4-11(17)16-12-8(2)22-10(13(18)14(12)19)7-21-15(20)9-5-6-9/h8-10,12-14,18-19H,3-7H2,1-2H3,(H,16,17)/t8?,10-,12+,13-,14-/m1/s1
InChIKeyOPKNPBYMACEIQW-UBGIILAESA-N
XLogP-0.27
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
CID 76510956
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
CID 57326091
[(2R,3S,4R,5R)-5-(butanoylamino)-3,4,6-trihydroxyoxan-2-yl]methyl butanoate
CID 139295403
4-[[(2R,3S,4R,5R)-5-(butanoylamino)-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-oxobutanoic acid
CID 139295352
[2-[[(2R,3S,4R,5R)-5-(butanoylamino)-3,4,6-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-trimethylazanium;hydrochloride
CID 159491582
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(2-methoxyethoxymethyl)oxan-3-yl]butanamide
CID 139295558
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-3-yl]butanamide
CID 91314025
[(2R,3R,4R,5S,6S)-3,4,6-triacetyloxy-5-(butanoylamino)oxan-2-yl]methyl acetate
CID 98286307
[(2R,3S,5R)-5-(butanoylamino)-3,4,6-trihydroxyoxan-2-yl]methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 139295368

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate?
The IUPAC name of [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate (CID 139295247) is [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate.
What is the SMILES notation for [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate?
The canonical SMILES for [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate is CCCC(=O)N[C@H]1C(C)O[C@H](COC(=O)C2CC2)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate?
The InChIKey is OPKNPBYMACEIQW-UBGIILAESA-N. The full InChI is InChI=1S/C15H25NO6/c1-3-4-11(17)16-12-8(2)22-10(13(18)14(12)19)7-21-15(20)9-5-6-9/h8-10,12-14,18-19H,3-7H2,1-2H3,(H,16,17)/t8?,10-,12+,13-,14-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate?
[(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate has a molecular weight of 315.37 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-(butanoylamino)-3,4-dihydroxy-6-methyloxan-2-yl]methyl cyclopropanecarboxylate is sourced from PubChem (CID 139295247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).