[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate

C17H18N2O5 — CID 7880281

IUPAC[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
SMILESC[C@H](NC(=O)COC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H18N2O5/c1-12(13-6-3-2-4-7-13)19-15(20)11-24-16(21)10-18-17(22)14-8-5-9-23-14/h2-9,12H,10-11H2,1H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyVNXCYLMQBLUJQO-LBPRGKRZSA-N
MW330.34 g/mol
LogP1.43
Rot. Bonds7

About [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 7880281) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID7880281
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
SMILESC[C@H](NC(=O)COC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H18N2O5/c1-12(13-6-3-2-4-7-13)19-15(20)11-24-16(21)10-18-17(22)14-8-5-9-23-14/h2-9,12H,10-11H2,1H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyVNXCYLMQBLUJQO-LBPRGKRZSA-N
XLogP1.43
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909258
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 46606122
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909262
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884502
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826717
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884921
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884920
N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162418
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492394
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate (CID 7880281) is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate is C[C@H](NC(=O)COC(=O)CNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is VNXCYLMQBLUJQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-12(13-6-3-2-4-7-13)19-15(20)11-24-16(21)10-18-17(22)14-8-5-9-23-14/h2-9,12H,10-11H2,1H3,(H,18,22)(H,19,20)/t12-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate?
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 330.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7880281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).