methyl 3-[(3-carbamoylbenzoyl)amino]propanoate

C12H14N2O4 — CID 47159745

IUPACmethyl 3-[(3-carbamoylbenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-18-10(15)5-6-14-12(17)9-4-2-3-8(7-9)11(13)16/h2-4,7H,5-6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyPFKNRJXGIDFSAB-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.08
Rot. Bonds5

About methyl 3-[(3-carbamoylbenzoyl)amino]propanoate

methyl 3-[(3-carbamoylbenzoyl)amino]propanoate (PubChem CID 47159745) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 3-[(3-carbamoylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoylbenzoyl)amino]propanoate
PubChem CID47159745
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 3-[(3-carbamoylbenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-18-10(15)5-6-14-12(17)9-4-2-3-8(7-9)11(13)16/h2-4,7H,5-6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyPFKNRJXGIDFSAB-UHFFFAOYSA-N
XLogP0.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
methyl 3-[[3-[[3,5-bis[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]methyl]-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzoyl]amino]propanoate
CID 15840385
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
4-[(3-carbamoylbenzoyl)amino]-2-methylbutanoic acid
CID 80540452
methyl 3-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55103215
2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid
CID 79457804
methyl 3-[[3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxybenzoyl]amino]propanoate
CID 146039955
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
CID 104593481

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoylbenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-carbamoylbenzoyl)amino]propanoate (CID 47159745) is methyl 3-[(3-carbamoylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-carbamoylbenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-carbamoylbenzoyl)amino]propanoate is COC(=O)CCNC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of methyl 3-[(3-carbamoylbenzoyl)amino]propanoate?
The InChIKey is PFKNRJXGIDFSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-10(15)5-6-14-12(17)9-4-2-3-8(7-9)11(13)16/h2-4,7H,5-6H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of methyl 3-[(3-carbamoylbenzoyl)amino]propanoate?
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate has a molecular weight of 250.25 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoylbenzoyl)amino]propanoate is sourced from PubChem (CID 47159745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).