2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid

C13H19ClN2O4 — CID 22814498

IUPAC2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid
SMILESCCc1cccc(Cl)c1N[C@@H](C)C(=O)O.NCC(=O)O
InChIInChI=1S/C11H14ClNO2.C2H5NO2/c1-3-8-5-4-6-9(12)10(8)13-7(2)11(14)15;3-1-2(4)5/h4-7,13H,3H2,1-2H3,(H,14,15);1,3H2,(H,4,5)/t7-;/m0./s1
InChIKeyRNOLUZWQMPISBW-FJXQXJEOSA-N
MW302.76 g/mol
LogP1.82
Rot. Bonds5

About 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid

2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid (PubChem CID 22814498) has the molecular formula C13H19ClN2O4 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid
PubChem CID22814498
Molecular FormulaC13H19ClN2O4
Molecular Weight302.76 g/mol
Exact Mass302.10
IUPAC Name2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid
SMILESCCc1cccc(Cl)c1N[C@@H](C)C(=O)O.NCC(=O)O
InChIInChI=1S/C11H14ClNO2.C2H5NO2/c1-3-8-5-4-6-9(12)10(8)13-7(2)11(14)15;3-1-2(4)5/h4-7,13H,3H2,1-2H3,(H,14,15);1,3H2,(H,4,5)/t7-;/m0./s1
InChIKeyRNOLUZWQMPISBW-FJXQXJEOSA-N
XLogP1.82
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminoacetic acid;2-cyanoethyl (2S)-2-(2-chloro-6-ethylanilino)propanoate
CID 70568365
2-aminoacetic acid;(1-ethoxy-1-oxopropan-2-yl) (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70568965
2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70567030
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
CID 65499751
benzyl 2-(2,6-diethylanilino)propanoate
CID 20574847
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54312998
2-[2-(aminomethyl)anilino]propanoic acid
CID 67615589
2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
CID 22814511
(2S)-2-(2,6-dichloroanilino)-3-methylbutanoic acid
CID 54414123
2-(2-chloro-6-methylanilino)propanamide
CID 66252713
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid (CID 22814498) is 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid is CCc1cccc(Cl)c1N[C@@H](C)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid?
The InChIKey is RNOLUZWQMPISBW-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H14ClNO2.C2H5NO2/c1-3-8-5-4-6-9(12)10(8)13-7(2)11(14)15;3-1-2(4)5/h4-7,13H,3H2,1-2H3,(H,14,15);1,3H2,(H,4,5)/t7-;/m0./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid?
2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid has a molecular weight of 302.76 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-(2-chloro-6-ethylanilino)propanoic acid is sourced from PubChem (CID 22814498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).