[(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate

C8H15NO3 — CID 175935673

IUPAC[(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate
SMILESC[C@H](O)[C@H]1C[C@H]1[C@H](C)OC(N)=O
InChIInChI=1S/C8H15NO3/c1-4(10)6-3-7(6)5(2)12-8(9)11/h4-7,10H,3H2,1-2H3,(H2,9,11)/t4-,5-,6+,7-/m0/s1
InChIKeyVLGOQOCJVRWQFT-YTLHQDLWSA-N
MW173.21 g/mol
LogP0.49
Rot. Bonds3

About [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate

[(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate (PubChem CID 175935673) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate
PubChem CID175935673
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate
SMILESC[C@H](O)[C@H]1C[C@H]1[C@H](C)OC(N)=O
InChIInChI=1S/C8H15NO3/c1-4(10)6-3-7(6)5(2)12-8(9)11/h4-7,10H,3H2,1-2H3,(H2,9,11)/t4-,5-,6+,7-/m0/s1
InChIKeyVLGOQOCJVRWQFT-YTLHQDLWSA-N
XLogP0.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate?
The IUPAC name of [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate (CID 175935673) is [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate.
What is the SMILES notation for [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate?
The canonical SMILES for [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate is C[C@H](O)[C@H]1C[C@H]1[C@H](C)OC(N)=O.
What is the InChIKey of [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate?
The InChIKey is VLGOQOCJVRWQFT-YTLHQDLWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4(10)6-3-7(6)5(2)12-8(9)11/h4-7,10H,3H2,1-2H3,(H2,9,11)/t4-,5-,6+,7-/m0/s1.
What are the key properties of [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate?
[(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(1R,2S)-2-[(1S)-1-hydroxyethyl]cyclopropyl]ethyl] carbamate is sourced from PubChem (CID 175935673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).