3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid

C12H15N3O5 — CID 106110662

IUPAC3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)Nc1cccc(C(N)=O)c1)C(=O)O
InChIInChI=1S/C12H15N3O5/c1-20-9(11(17)18)6-14-12(19)15-8-4-2-3-7(5-8)10(13)16/h2-5,9H,6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyWZSXTZMJRICVAE-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.01
Rot. Bonds6

About 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid

3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid (PubChem CID 106110662) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid
PubChem CID106110662
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)Nc1cccc(C(N)=O)c1)C(=O)O
InChIInChI=1S/C12H15N3O5/c1-20-9(11(17)18)6-14-12(19)15-8-4-2-3-7(5-8)10(13)16/h2-5,9H,6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyWZSXTZMJRICVAE-UHFFFAOYSA-N
XLogP0.01
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-3-methoxyphenyl)carbamoylamino]-2-methoxypropanoic acid
CID 106110647
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
CID 106109026
2-methoxy-3-[(4-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 114144566
3-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-2-methoxypropanoic acid
CID 106110636
3-(1-benzothiophen-5-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110264
3-(pentylcarbamoylamino)benzamide
CID 47033052
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
3-(2,3,3-trimethylbutylcarbamoylamino)benzoic acid
CID 83144469
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid (CID 106110662) is 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid is COC(CNC(=O)Nc1cccc(C(N)=O)c1)C(=O)O.
What is the InChIKey of 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid?
The InChIKey is WZSXTZMJRICVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-20-9(11(17)18)6-14-12(19)15-8-4-2-3-7(5-8)10(13)16/h2-5,9H,6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid?
3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid has a molecular weight of 281.27 g/mol, XLogP of 0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoylphenyl)carbamoylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 106110662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).