methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate

C12H14N2O4 — CID 113257904

IUPACmethyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-7(12(17)18-2)14-11(16)9-5-3-4-8(6-9)10(13)15/h3-7H,1-2H3,(H2,13,15)(H,14,16)/t7-/m1/s1
InChIKeyQXYZKDPHFKIKTR-SSDOTTSWSA-N
MW250.25 g/mol
LogP0.08
Rot. Bonds4

About methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate

methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate (PubChem CID 113257904) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
PubChem CID113257904
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-7(12(17)18-2)14-11(16)9-5-3-4-8(6-9)10(13)15/h3-7H,1-2H3,(H2,13,15)(H,14,16)/t7-/m1/s1
InChIKeyQXYZKDPHFKIKTR-SSDOTTSWSA-N
XLogP0.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 (2S)-2-benzamidopropanoate
CID 6364617
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
methyl (2R)-2-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 113257877
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
2-[(3-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 60859011
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]benzoic acid
CID 43545835
3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
CID 65191392
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate?
The IUPAC name of methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate (CID 113257904) is methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate?
The canonical SMILES for methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate is COC(=O)[C@@H](C)NC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate?
The InChIKey is QXYZKDPHFKIKTR-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(12(17)18-2)14-11(16)9-5-3-4-8(6-9)10(13)15/h3-7H,1-2H3,(H2,13,15)(H,14,16)/t7-/m1/s1.
What are the key properties of methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate?
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate has a molecular weight of 250.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate is sourced from PubChem (CID 113257904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).