ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate

C21H24N2O5 — CID 141172480

IUPACethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-3-27-18(24)14-23(2)20(25)19(17-12-8-5-9-13-17)22-21(26)28-15-16-10-6-4-7-11-16/h4-13,19H,3,14-15H2,1-2H3,(H,22,26)/t19-/m0/s1
InChIKeyXIWKPNBGJSJKEZ-IBGZPJMESA-N
MW384.43 g/mol
LogP2.68
Rot. Bonds8

About ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate

ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate (PubChem CID 141172480) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
PubChem CID141172480
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Nameethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-3-27-18(24)14-23(2)20(25)19(17-12-8-5-9-13-17)22-21(26)28-15-16-10-6-4-7-11-16/h4-13,19H,3,14-15H2,1-2H3,(H,22,26)/t19-/m0/s1
InChIKeyXIWKPNBGJSJKEZ-IBGZPJMESA-N
XLogP2.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate
CID 101141605
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
diethyl (2S)-2-(phenylmethoxycarbonylamino)butanedioate
CID 10871014
ethyl 3-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 68727772
benzyl 2-[(ethoxycarbonylamino)-phenylmethyl]buta-2,3-dienoate
CID 74832949
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 54226118
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
ethyl 4,4,4-trifluoro-3-(phenylmethoxycarbonylamino)butanoate
CID 162782346
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate (CID 141172480) is ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate is CCOC(=O)CN(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate?
The InChIKey is XIWKPNBGJSJKEZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-27-18(24)14-23(2)20(25)19(17-12-8-5-9-13-17)22-21(26)28-15-16-10-6-4-7-11-16/h4-13,19H,3,14-15H2,1-2H3,(H,22,26)/t19-/m0/s1.
What are the key properties of ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate?
ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate has a molecular weight of 384.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 141172480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).