(5-hydroxyoxan-2-yl)methylcarbamic acid

C7H13NO4 — CID 138697031

IUPAC(5-hydroxyoxan-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1CCC(O)CO1
InChIInChI=1S/C7H13NO4/c9-5-1-2-6(12-4-5)3-8-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeyLEPAVQOIBOCBFF-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.21
Rot. Bonds2

About (5-hydroxyoxan-2-yl)methylcarbamic acid

(5-hydroxyoxan-2-yl)methylcarbamic acid (PubChem CID 138697031) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (5-hydroxyoxan-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(5-hydroxyoxan-2-yl)methylcarbamic acid
PubChem CID138697031
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(5-hydroxyoxan-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1CCC(O)CO1
InChIInChI=1S/C7H13NO4/c9-5-1-2-6(12-4-5)3-8-7(10)11/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeyLEPAVQOIBOCBFF-UHFFFAOYSA-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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Related Compounds

[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
N-(oxetan-2-ylmethyl)acetamide
CID 166482133
N-[[(2S,5R)-5-aminooxan-2-yl]methyl]acetamide;hydrochloride
CID 134283511
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
N-[[(2S,5R)-5-aminooxan-2-yl]methyl]-2-hydroxypropanamide
CID 134283041
[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid
CID 174157961
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid
CID 90108644
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
(5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride
CID 142750674

Frequently Asked Questions

What is the IUPAC name of (5-hydroxyoxan-2-yl)methylcarbamic acid?
The IUPAC name of (5-hydroxyoxan-2-yl)methylcarbamic acid (CID 138697031) is (5-hydroxyoxan-2-yl)methylcarbamic acid.
What is the SMILES notation for (5-hydroxyoxan-2-yl)methylcarbamic acid?
The canonical SMILES for (5-hydroxyoxan-2-yl)methylcarbamic acid is O=C(O)NCC1CCC(O)CO1.
What is the InChIKey of (5-hydroxyoxan-2-yl)methylcarbamic acid?
The InChIKey is LEPAVQOIBOCBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c9-5-1-2-6(12-4-5)3-8-7(10)11/h5-6,8-9H,1-4H2,(H,10,11).
What are the key properties of (5-hydroxyoxan-2-yl)methylcarbamic acid?
(5-hydroxyoxan-2-yl)methylcarbamic 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 (5-hydroxyoxan-2-yl)methylcarbamic acid is sourced from PubChem (CID 138697031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).