propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate

C13H17NO2 — CID 101214248

IUPACpropan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate
SMILESCC(C)OC(=O)/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)16-13(15)9-14-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3/b14-9+/t11-/m1/s1
InChIKeyWUAJCAYQTKKJFH-ZECSTPGPSA-N
MW219.28 g/mol
LogP2.77
Rot. Bonds4

About propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate

propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate (PubChem CID 101214248) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate
PubChem CID101214248
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namepropan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate
SMILESCC(C)OC(=O)/C=N/[C@H](C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)16-13(15)9-14-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3/b14-9+/t11-/m1/s1
InChIKeyWUAJCAYQTKKJFH-ZECSTPGPSA-N
XLogP2.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(1R)-1-phenylethyl]iminoacetate
CID 101214253
2,2-dimethyl-N-(1-phenylethyl)propan-1-imine
CID 19708107
2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone
CID 139818881
dipropan-2-yl 2-(2-phenylpropylidene)propanedioate
CID 141417794
propan-2-yl (E,4S)-4-hydroxy-6-oxo-5-phenylhex-2-enoate
CID 102213059
dibenzhydryl (E)-but-2-enedioate
CID 19073748
propan-2-yl (2S)-2-bromo-2-phenylacetate
CID 124636083
[(1R)-1-phenylethyl] 2-oxoacetate
CID 54399353
1-phenylethyl prop-2-enoate
CID 175321764
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
benzhydryl 2-hydroxybut-2-enoate
CID 154093504

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate?
The IUPAC name of propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate (CID 101214248) is propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate.
What is the SMILES notation for propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate?
The canonical SMILES for propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate is CC(C)OC(=O)/C=N/[C@H](C)c1ccccc1.
What is the InChIKey of propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate?
The InChIKey is WUAJCAYQTKKJFH-ZECSTPGPSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)16-13(15)9-14-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3/b14-9+/t11-/m1/s1.
What are the key properties of propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate?
propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate has a molecular weight of 219.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate is sourced from PubChem (CID 101214248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).