(2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide

C10H19NO5 — CID 143865013

IUPAC(2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)CNC(=O)[C@]1(O)O[C@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19NO5/c1-5(2)4-11-9(14)10(15)8(13)7(12)6(3)16-10/h5-8,12-13,15H,4H2,1-3H3,(H,11,14)/t6-,7+,8-,10-/m1/s1
InChIKeyIDDHKTDGMSVIRC-IBCQBUCCSA-N
MW233.26 g/mol
LogP-1.41
Rot. Bonds3

About (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide

(2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide (PubChem CID 143865013) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
PubChem CID143865013
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)CNC(=O)[C@]1(O)O[C@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C10H19NO5/c1-5(2)4-11-9(14)10(15)8(13)7(12)6(3)16-10/h5-8,12-13,15H,4H2,1-3H3,(H,11,14)/t6-,7+,8-,10-/m1/s1
InChIKeyIDDHKTDGMSVIRC-IBCQBUCCSA-N
XLogP-1.41
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide (CID 143865013) is (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide is CC(C)CNC(=O)[C@]1(O)O[C@H](C)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide?
The InChIKey is IDDHKTDGMSVIRC-IBCQBUCCSA-N. The full InChI is InChI=1S/C10H19NO5/c1-5(2)4-11-9(14)10(15)8(13)7(12)6(3)16-10/h5-8,12-13,15H,4H2,1-3H3,(H,11,14)/t6-,7+,8-,10-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide?
(2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide has a molecular weight of 233.26 g/mol, XLogP of -1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 143865013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).