[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid

C7H13NO4 — CID 90108644

IUPAC[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CCC(CO)OC1
InChIInChI=1S/C7H13NO4/c9-3-6-2-1-5(4-12-6)8-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6?/m0/s1
InChIKeyKCSVWVHAWYGZEZ-ZBHICJROSA-N
MW175.18 g/mol
LogP-0.21
Rot. Bonds2

About [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid

[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid (PubChem CID 90108644) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid
PubChem CID90108644
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CCC(CO)OC1
InChIInChI=1S/C7H13NO4/c9-3-6-2-1-5(4-12-6)8-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6?/m0/s1
InChIKeyKCSVWVHAWYGZEZ-ZBHICJROSA-N
XLogP-0.21
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid?
The IUPAC name of [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid (CID 90108644) is [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid?
The canonical SMILES for [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid is O=C(O)N[C@H]1CCC(CO)OC1.
What is the InChIKey of [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid?
The InChIKey is KCSVWVHAWYGZEZ-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13NO4/c9-3-6-2-1-5(4-12-6)8-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6?/m0/s1.
What are the key properties of [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid?
[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid has a molecular weight of 175.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid is sourced from PubChem (CID 90108644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).