[(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid

C6H11NO4 — CID 122437100

IUPAC[(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1COC[C@@H]1CO
InChIInChI=1S/C6H11NO4/c8-1-4-2-11-3-5(4)7-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m0/s1
InChIKeyUAAFYALIWSBMQG-WHFBIAKZSA-N
MW161.16 g/mol
LogP-0.74
Rot. Bonds2

About [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid

[(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid (PubChem CID 122437100) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid
PubChem CID122437100
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name[(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1COC[C@@H]1CO
InChIInChI=1S/C6H11NO4/c8-1-4-2-11-3-5(4)7-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m0/s1
InChIKeyUAAFYALIWSBMQG-WHFBIAKZSA-N
XLogP-0.74
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
[(1R,2R,3R,4S)-2-bromo-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamic acid
CID 68909262
[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid
CID 154997614
[(3S,4R)-4-amino-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamic acid
CID 139451131
[(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 174057960
[(3R,4S)-4-aminooxolan-3-yl]methanol
CID 131463106
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
2-hydroxy-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130676245
(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol
CID 7784271
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid?
The IUPAC name of [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid (CID 122437100) is [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid?
The canonical SMILES for [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid is O=C(O)N[C@H]1COC[C@@H]1CO.
What is the InChIKey of [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid?
The InChIKey is UAAFYALIWSBMQG-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO4/c8-1-4-2-11-3-5(4)7-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m0/s1.
What are the key properties of [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid?
[(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid has a molecular weight of 161.16 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(hydroxymethyl)oxolan-3-yl]carbamic acid is sourced from PubChem (CID 122437100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).