(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid

C12H14N2O5 — CID 119943040

IUPAC(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)O
InChIInChI=1S/C12H14N2O5/c1-7(12(17)18)14-10(15)6-19-9-4-2-8(3-5-9)11(13)16/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)(H,17,18)/t7-/m0/s1
InChIKeyKKKFUEAGHDHFJE-ZETCQYMHSA-N
MW266.25 g/mol
LogP-0.25
Rot. Bonds6

About (2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid

(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid (PubChem CID 119943040) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
PubChem CID119943040
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
SMILESC[C@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)O
InChIInChI=1S/C12H14N2O5/c1-7(12(17)18)14-10(15)6-19-9-4-2-8(3-5-9)11(13)16/h2-5,7H,6H2,1H3,(H2,13,16)(H,14,15)(H,17,18)/t7-/m0/s1
InChIKeyKKKFUEAGHDHFJE-ZETCQYMHSA-N
XLogP-0.25
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 ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722
(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
CID 120826819
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
4-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931345
4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931207
4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethoxy]benzamide
CID 7931267
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid (CID 119943040) is (2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid is C[C@H](NC(=O)COc1ccc(C(N)=O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is KKKFUEAGHDHFJE-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7(12(17)18)14-10(15)6-19-9-4-2-8(3-5-9)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-(4-carbamoylphenoxy)acetyl]amino]propanoic acid?
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 266.25 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 119943040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).