(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide

C9H17NO4 — CID 104856124

IUPAC(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(CO)(CO)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H17NO4/c1-9(5-11,6-12)10-8(13)7-3-2-4-14-7/h7,11-12H,2-6H2,1H3,(H,10,13)/t7-/m1/s1
InChIKeyWTTUEZYLZBTPLE-SSDOTTSWSA-N
MW203.24 g/mol
LogP-0.98
Rot. Bonds4

About (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide

(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide (PubChem CID 104856124) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
PubChem CID104856124
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(CO)(CO)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H17NO4/c1-9(5-11,6-12)10-8(13)7-3-2-4-14-7/h7,11-12H,2-6H2,1H3,(H,10,13)/t7-/m1/s1
InChIKeyWTTUEZYLZBTPLE-SSDOTTSWSA-N
XLogP-0.98
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
CID 107846708
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxolane-2-carboxamide
CID 103890903
N-(1-bromo-3-methylpentan-3-yl)oxolane-2-carboxamide
CID 106169618
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
CID 66169153
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
N-[3-(aminomethyl)pentan-3-yl]oxane-2-carboxamide
CID 63766692
4,4-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]pentanoic acid
CID 104855942
(2S)-N'-acetyloxolane-2-carbohydrazide
CID 131155943

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide (CID 104856124) is (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide is CC(CO)(CO)NC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide?
The InChIKey is WTTUEZYLZBTPLE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(5-11,6-12)10-8(13)7-3-2-4-14-7/h7,11-12H,2-6H2,1H3,(H,10,13)/t7-/m1/s1.
What are the key properties of (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide?
(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide has a molecular weight of 203.24 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 104856124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).