methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate

C12H14Cl2N2O3 — CID 86786552

IUPACmethyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate
SMILESCOC(=O)C(N[C@@H](C)C(N)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-6(11(15)17)16-10(12(18)19-2)7-4-3-5-8(13)9(7)14/h3-6,10,16H,1-2H3,(H2,15,17)/t6-,10?/m0/s1
InChIKeyVWNYBPIIZBASQZ-UOQJWNSWSA-N
MW305.16 g/mol
LogP1.67
Rot. Bonds5

About methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate

methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate (PubChem CID 86786552) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate
PubChem CID86786552
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Namemethyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate
SMILESCOC(=O)C(N[C@@H](C)C(N)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-6(11(15)17)16-10(12(18)19-2)7-4-3-5-8(13)9(7)14/h3-6,10,16H,1-2H3,(H2,15,17)/t6-,10?/m0/s1
InChIKeyVWNYBPIIZBASQZ-UOQJWNSWSA-N
XLogP1.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate?
The IUPAC name of methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate (CID 86786552) is methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate is COC(=O)C(N[C@@H](C)C(N)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate?
The InChIKey is VWNYBPIIZBASQZ-UOQJWNSWSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-6(11(15)17)16-10(12(18)19-2)7-4-3-5-8(13)9(7)14/h3-6,10,16H,1-2H3,(H2,15,17)/t6-,10?/m0/s1.
What are the key properties of methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate?
methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate has a molecular weight of 305.16 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(2,3-dichlorophenyl)acetate is sourced from PubChem (CID 86786552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).