[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate

C15H18N2O6 — CID 8736203

IUPAC[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
SMILESCOC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C15H18N2O6/c1-10(14(20)17-15(21)22-2)23-13(19)9-16-12(18)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,18)(H,17,20,21)/t10-/m0/s1
InChIKeyHRUKUEHKOUPCNT-JTQLQIEISA-N
MW322.32 g/mol
LogP0.16
Rot. Bonds6

About [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate

[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate (PubChem CID 8736203) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
PubChem CID8736203
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
SMILESCOC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C15H18N2O6/c1-10(14(20)17-15(21)22-2)23-13(19)9-16-12(18)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,18)(H,17,20,21)/t10-/m0/s1
InChIKeyHRUKUEHKOUPCNT-JTQLQIEISA-N
XLogP0.16
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 55420565
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735926
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8523244
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8736269
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8523677
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 46793455
(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
CID 46695851
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061481
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42970594
trimethylsilyl 2-[(2-phenylacetyl)amino]acetate
CID 523699
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 55425396

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate (CID 8736203) is [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate is COC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is HRUKUEHKOUPCNT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2O6/c1-10(14(20)17-15(21)22-2)23-13(19)9-16-12(18)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,18)(H,17,20,21)/t10-/m0/s1.
What are the key properties of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate?
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 322.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 8736203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).