(3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide

C10H18N2O6 — CID 70821742

IUPAC(3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide
SMILESCN[C@@H]1C(O)C(O)OC(C(=O)NCC(C)=O)[C@H]1O
InChIInChI=1S/C10H18N2O6/c1-4(13)3-12-9(16)8-6(14)5(11-2)7(15)10(17)18-8/h5-8,10-11,14-15,17H,3H2,1-2H3,(H,12,16)/t5-,6-,7?,8?,10?/m0/s1
InChIKeyMAXCFFZOSPZTBA-ACGALSOKSA-N
MW262.26 g/mol
LogP-3.28
Rot. Bonds4

About (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide

(3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide (PubChem CID 70821742) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide
PubChem CID70821742
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name(3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide
SMILESCN[C@@H]1C(O)C(O)OC(C(=O)NCC(C)=O)[C@H]1O
InChIInChI=1S/C10H18N2O6/c1-4(13)3-12-9(16)8-6(14)5(11-2)7(15)10(17)18-8/h5-8,10-11,14-15,17H,3H2,1-2H3,(H,12,16)/t5-,6-,7?,8?,10?/m0/s1
InChIKeyMAXCFFZOSPZTBA-ACGALSOKSA-N
XLogP-3.28
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-3.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide with MolForge

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Related Compounds

4-(methylamino)-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 122579173
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
1-[(3S,4R,5S)-4,5-dihydroxy-3-(propan-2-ylamino)oxolan-2-yl]-2-methylpropan-1-one
CID 129088086
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
1-[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethanone
CID 91170856
N-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]acetamide
CID 70004972
3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde
CID 167712723
(2S,3S,4S,5R)-N-butyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
CID 44538844
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4,5,6-trihydroxy-3-methyloxane-2-carboxamide
CID 163630060
methyl (2R,3R,4R,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 124708413

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide?
The IUPAC name of (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide (CID 70821742) is (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide.
What is the SMILES notation for (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide?
The canonical SMILES for (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide is CN[C@@H]1C(O)C(O)OC(C(=O)NCC(C)=O)[C@H]1O.
What is the InChIKey of (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide?
The InChIKey is MAXCFFZOSPZTBA-ACGALSOKSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-4(13)3-12-9(16)8-6(14)5(11-2)7(15)10(17)18-8/h5-8,10-11,14-15,17H,3H2,1-2H3,(H,12,16)/t5-,6-,7?,8?,10?/m0/s1.
What are the key properties of (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide?
(3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide has a molecular weight of 262.26 g/mol, XLogP of -3.28, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,5,6-trihydroxy-4-(methylamino)-N-(2-oxopropyl)oxane-2-carboxamide is sourced from PubChem (CID 70821742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).