(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide

C9H17NO5 — CID 107846708

IUPAC(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)[C@@H]1CCCO1
InChIInChI=1S/C9H17NO5/c11-4-9(5-12,6-13)10-8(14)7-2-1-3-15-7/h7,11-13H,1-6H2,(H,10,14)/t7-/m0/s1
InChIKeySJEDBLYTCDYBKS-ZETCQYMHSA-N
MW219.24 g/mol
LogP-2.00
Rot. Bonds5

About (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide

(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide (PubChem CID 107846708) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
PubChem CID107846708
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide
SMILESO=C(NC(CO)(CO)CO)[C@@H]1CCCO1
InChIInChI=1S/C9H17NO5/c11-4-9(5-12,6-13)10-8(14)7-2-1-3-15-7/h7,11-13H,1-6H2,(H,10,14)/t7-/m0/s1
InChIKeySJEDBLYTCDYBKS-ZETCQYMHSA-N
XLogP-2.00
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 130621516
N-(1-fluoro-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 130643247
(2S,3R)-3-methyl-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)oxolane-2-carboxamide
CID 154807308
N-(tert-butyl)oxolan-2-ylcarboxamide
CID 4093003
(2S)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 39237943
(2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 39237945
(2S)-N-tert-butyloxolane-2-carboxamide
CID 40569734
(2R)-N-tert-butyloxolane-2-carboxamide
CID 40569736
N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 43390563
2-Methyl-2-(oxolane-2-carbonylamino)pentanoic acid
CID 43618543
2-Methyl-2-(oxolane-2-carbonylamino)propanoic acid
CID 61262613
4-Methyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 62042609

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide (CID 107846708) is (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide is O=C(NC(CO)(CO)CO)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide?
The InChIKey is SJEDBLYTCDYBKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO5/c11-4-9(5-12,6-13)10-8(14)7-2-1-3-15-7/h7,11-13H,1-6H2,(H,10,14)/t7-/m0/s1.
What are the key properties of (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide?
(2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of -2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 107846708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).