methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate

C14H17N3O6 — CID 70431627

IUPACmethyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(COC(C)=O)NC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H17N3O6/c1-8(18)23-7-11(13(20)22-2)17-14(21)16-10-5-3-9(4-6-10)12(15)19/h3-6,11H,7H2,1-2H3,(H2,15,19)(H2,16,17,21)
InChIKeyZXKVNOWOCSCSNA-UHFFFAOYSA-N
MW323.31 g/mol
LogP0.01
Rot. Bonds6

About methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate

methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate (PubChem CID 70431627) has the molecular formula C14H17N3O6 and a molecular weight of 323.31 g/mol. Its IUPAC name is methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate
PubChem CID70431627
Molecular FormulaC14H17N3O6
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Namemethyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(COC(C)=O)NC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H17N3O6/c1-8(18)23-7-11(13(20)22-2)17-14(21)16-10-5-3-9(4-6-10)12(15)19/h3-6,11H,7H2,1-2H3,(H2,15,19)(H2,16,17,21)
InChIKeyZXKVNOWOCSCSNA-UHFFFAOYSA-N
XLogP0.01
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70407448
methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-4-methylsulfanylbutanoate
CID 663754
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
(2R)-2-[(4-carbamoylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104909796
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
(2S)-2-[(4-carbamoylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61185112
methyl 3-(4-acetyloxyphenyl)-2-[[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]carbamoylamino]propanoate
CID 86742139
2-[(4-carbamoylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61185994
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanoate
CID 663581
methyl 3-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate
CID 61315744

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate (CID 70431627) is methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate is COC(=O)C(COC(C)=O)NC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate?
The InChIKey is ZXKVNOWOCSCSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O6/c1-8(18)23-7-11(13(20)22-2)17-14(21)16-10-5-3-9(4-6-10)12(15)19/h3-6,11H,7H2,1-2H3,(H2,15,19)(H2,16,17,21).
What are the key properties of methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate?
methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate has a molecular weight of 323.31 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 70431627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).