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

C12H15N3O4 — CID 70407448

IUPACmethyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15N3O4/c1-7(11(17)19-2)14-12(18)15-9-5-3-8(4-6-9)10(13)16/h3-7H,1-2H3,(H2,13,16)(H2,14,15,18)
InChIKeyVLPDQPQVFPGVLU-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.47
Rot. Bonds4

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

methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate (PubChem CID 70407448) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
PubChem CID70407448
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15N3O4/c1-7(11(17)19-2)14-12(18)15-9-5-3-8(4-6-9)10(13)16/h3-7H,1-2H3,(H2,13,16)(H2,14,15,18)
InChIKeyVLPDQPQVFPGVLU-UHFFFAOYSA-N
XLogP0.47
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
methyl 3-acetyloxy-2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70431627
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 5389782
2-[(4-carbamoylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61185994
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
CID 7660335
(2S)-2-[(4-carbamoylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61185112
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
CID 5151052
methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methylbutanoate
CID 663581
2-[(4-aminophenyl)carbamoylamino]propanamide
CID 43545745
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 7647483

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate (CID 70407448) is methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate is COC(=O)C(C)NC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate?
The InChIKey is VLPDQPQVFPGVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7(11(17)19-2)14-12(18)15-9-5-3-8(4-6-9)10(13)16/h3-7H,1-2H3,(H2,13,16)(H2,14,15,18).
What are the key properties of methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate?
methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate has a molecular weight of 265.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 70407448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).