[(2S)-oxolan-2-yl]methylcarbamic acid

C6H11NO3 — CID 69040354

IUPAC[(2S)-oxolan-2-yl]methylcarbamic acid
SMILESO=C(O)NC[C@@H]1CCCO1
InChIInChI=1S/C6H11NO3/c8-6(9)7-4-5-2-1-3-10-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyMEBLRZKPLXIWCO-YFKPBYRVSA-N
MW145.16 g/mol
LogP0.43
Rot. Bonds2

About [(2S)-oxolan-2-yl]methylcarbamic acid

[(2S)-oxolan-2-yl]methylcarbamic acid (PubChem CID 69040354) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methylcarbamic acid
PubChem CID69040354
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(2S)-oxolan-2-yl]methylcarbamic acid
SMILESO=C(O)NC[C@@H]1CCCO1
InChIInChI=1S/C6H11NO3/c8-6(9)7-4-5-2-1-3-10-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyMEBLRZKPLXIWCO-YFKPBYRVSA-N
XLogP0.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
(5-hydroxyoxan-2-yl)methylcarbamic acid
CID 138697031
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
1-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129365048
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
1,3-bis(oxolan-2-ylmethyl)thiourea
CID 19653607
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methylcarbamic acid?
The IUPAC name of [(2S)-oxolan-2-yl]methylcarbamic acid (CID 69040354) is [(2S)-oxolan-2-yl]methylcarbamic acid.
What is the SMILES notation for [(2S)-oxolan-2-yl]methylcarbamic acid?
The canonical SMILES for [(2S)-oxolan-2-yl]methylcarbamic acid is O=C(O)NC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methylcarbamic acid?
The InChIKey is MEBLRZKPLXIWCO-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3/c8-6(9)7-4-5-2-1-3-10-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methylcarbamic acid?
[(2S)-oxolan-2-yl]methylcarbamic acid has a molecular weight of 145.16 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methylcarbamic acid is sourced from PubChem (CID 69040354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).