ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate

C12H17NO3 — CID 10944080

IUPACethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-3-16-12(15)13-9(2)11(14)10-7-5-4-6-8-10/h4-9,11,14H,3H2,1-2H3,(H,13,15)/t9-,11-/m0/s1
InChIKeyHMQGMWCUTUABCN-ONGXEEELSA-N
MW223.27 g/mol
LogP1.85
Rot. Bonds4

About ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate

ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate (PubChem CID 10944080) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
PubChem CID10944080
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-3-16-12(15)13-9(2)11(14)10-7-5-4-6-8-10/h4-9,11,14H,3H2,1-2H3,(H,13,15)/t9-,11-/m0/s1
InChIKeyHMQGMWCUTUABCN-ONGXEEELSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The IUPAC name of ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate (CID 10944080) is ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate is CCOC(=O)N[C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The InChIKey is HMQGMWCUTUABCN-ONGXEEELSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-16-12(15)13-9(2)11(14)10-7-5-4-6-8-10/h4-9,11,14H,3H2,1-2H3,(H,13,15)/t9-,11-/m0/s1.
What are the key properties of ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate?
ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 10944080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).