ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate

C7H13NO4 — CID 130751480

IUPACethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C7H13NO4/c1-2-12-7(10)8-5-3-11-4-6(5)9/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6-/m1/s1
InChIKeyIDKQGKGEEMBNOV-PHDIDXHHSA-N
MW175.18 g/mol
LogP-0.51
Rot. Bonds2

About ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate

ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate (PubChem CID 130751480) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
PubChem CID130751480
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C7H13NO4/c1-2-12-7(10)8-5-3-11-4-6(5)9/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6-/m1/s1
InChIKeyIDKQGKGEEMBNOV-PHDIDXHHSA-N
XLogP-0.51
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate?
The IUPAC name of ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate (CID 130751480) is ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate is CCOC(=O)N[C@@H]1COC[C@H]1O.
What is the InChIKey of ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate?
The InChIKey is IDKQGKGEEMBNOV-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13NO4/c1-2-12-7(10)8-5-3-11-4-6(5)9/h5-6,9H,2-4H2,1H3,(H,8,10)/t5-,6-/m1/s1.
What are the key properties of ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate?
ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate has a molecular weight of 175.18 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate is sourced from PubChem (CID 130751480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).