ethyl N-[[(1S)-1-phenylethyl]amino]carbamate

C11H16N2O2 — CID 76967986

IUPACethyl N-[[(1S)-1-phenylethyl]amino]carbamate
SMILESCCOC(=O)NN[C@@H](C)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)13-12-9(2)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyMSIUIUDKTKNUET-VIFPVBQESA-N
MW208.26 g/mol
LogP2.00
Rot. Bonds4

About ethyl N-[[(1S)-1-phenylethyl]amino]carbamate

ethyl N-[[(1S)-1-phenylethyl]amino]carbamate (PubChem CID 76967986) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl N-[[(1S)-1-phenylethyl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[(1S)-1-phenylethyl]amino]carbamate
PubChem CID76967986
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl N-[[(1S)-1-phenylethyl]amino]carbamate
SMILESCCOC(=O)NN[C@@H](C)c1ccccc1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)13-12-9(2)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyMSIUIUDKTKNUET-VIFPVBQESA-N
XLogP2.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-phenylethylamino)urea
CID 3063444
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 19432093
N'-[(1R)-1-phenylethyl]acetohydrazide
CID 134953253
ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
CID 22956502
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
2-phenoxy-N'-(1-phenylethyl)acetohydrazide
CID 23275370
ethyl 2-amino-3-oxo-3-[[(1R)-1-phenylethyl]amino]propanoate
CID 104877608
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[(1S)-1-phenylethyl]amino]carbamate?
The IUPAC name of ethyl N-[[(1S)-1-phenylethyl]amino]carbamate (CID 76967986) is ethyl N-[[(1S)-1-phenylethyl]amino]carbamate.
What is the SMILES notation for ethyl N-[[(1S)-1-phenylethyl]amino]carbamate?
The canonical SMILES for ethyl N-[[(1S)-1-phenylethyl]amino]carbamate is CCOC(=O)NN[C@@H](C)c1ccccc1.
What is the InChIKey of ethyl N-[[(1S)-1-phenylethyl]amino]carbamate?
The InChIKey is MSIUIUDKTKNUET-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)13-12-9(2)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of ethyl N-[[(1S)-1-phenylethyl]amino]carbamate?
ethyl N-[[(1S)-1-phenylethyl]amino]carbamate has a molecular weight of 208.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[(1S)-1-phenylethyl]amino]carbamate is sourced from PubChem (CID 76967986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).