2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid

C15H24N2O4 — CID 22814511

IUPAC2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
SMILESCCC(C)c1ccccc1N[C@@H](C)C(=O)O.NCC(=O)O
InChIInChI=1S/C13H19NO2.C2H5NO2/c1-4-9(2)11-7-5-6-8-12(11)14-10(3)13(15)16;3-1-2(4)5/h5-10,14H,4H2,1-3H3,(H,15,16);1,3H2,(H,4,5)/t9?,10-;/m0./s1
InChIKeyCHBDQCZDHICDGJ-FTCYEJDNSA-N
MW296.37 g/mol
LogP2.11
Rot. Bonds6

About 2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid

2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid (PubChem CID 22814511) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
PubChem CID22814511
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
SMILESCCC(C)c1ccccc1N[C@@H](C)C(=O)O.NCC(=O)O
InChIInChI=1S/C13H19NO2.C2H5NO2/c1-4-9(2)11-7-5-6-8-12(11)14-10(3)13(15)16;3-1-2(4)5/h5-10,14H,4H2,1-3H3,(H,15,16);1,3H2,(H,4,5)/t9?,10-;/m0./s1
InChIKeyCHBDQCZDHICDGJ-FTCYEJDNSA-N
XLogP2.11
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 70568138
2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 57268227
2-[2-(aminomethyl)anilino]propanoic acid
CID 67615589
ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid
CID 70598935
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
2-(2-aminoanilino)propanoic acid
CID 67237083
2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate
CID 88764200
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate
CID 70582155
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid (CID 22814511) is 2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid is CCC(C)c1ccccc1N[C@@H](C)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid?
The InChIKey is CHBDQCZDHICDGJ-FTCYEJDNSA-N. The full InChI is InChI=1S/C13H19NO2.C2H5NO2/c1-4-9(2)11-7-5-6-8-12(11)14-10(3)13(15)16;3-1-2(4)5/h5-10,14H,4H2,1-3H3,(H,15,16);1,3H2,(H,4,5)/t9?,10-;/m0./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid?
2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.11, 6 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-butan-2-ylanilino)propanoic acid is sourced from PubChem (CID 22814511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).