(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid

C12H14N2O5 — CID 104875798

IUPAC(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid
SMILESC[C@H](OCC(=O)Nc1ccccc1C(N)=O)C(=O)O
InChIInChI=1S/C12H14N2O5/c1-7(12(17)18)19-6-10(15)14-9-5-3-2-4-8(9)11(13)16/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)(H,17,18)/t7-/m0/s1
InChIKeyLQZPQCFEAVIQPO-ZETCQYMHSA-N
MW266.25 g/mol
LogP0.21
Rot. Bonds6

About (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid

(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid (PubChem CID 104875798) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid
PubChem CID104875798
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid
SMILESC[C@H](OCC(=O)Nc1ccccc1C(N)=O)C(=O)O
InChIInChI=1S/C12H14N2O5/c1-7(12(17)18)19-6-10(15)14-9-5-3-2-4-8(9)11(13)16/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)(H,17,18)/t7-/m0/s1
InChIKeyLQZPQCFEAVIQPO-ZETCQYMHSA-N
XLogP0.21
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645
(2R)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]propanoic acid
CID 104874956
[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
CID 11075874
2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838809
2-(2-bromopropanoylamino)benzamide
CID 14588064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid?
The IUPAC name of (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid (CID 104875798) is (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid is C[C@H](OCC(=O)Nc1ccccc1C(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid?
The InChIKey is LQZPQCFEAVIQPO-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7(12(17)18)19-6-10(15)14-9-5-3-2-4-8(9)11(13)16/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid?
(2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid has a molecular weight of 266.25 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-carbamoylanilino)-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104875798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).