2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate

C16H26N2O4 — CID 70568138

IUPAC2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate
SMILESCCC(C)c1ccccc1N[C@@H](C)C(=O)OC.NCC(=O)O
InChIInChI=1S/C14H21NO2.C2H5NO2/c1-5-10(2)12-8-6-7-9-13(12)15-11(3)14(16)17-4;3-1-2(4)5/h6-11,15H,5H2,1-4H3;1,3H2,(H,4,5)/t10?,11-;/m0./s1
InChIKeyFHHAIWDAUDXDDO-GQNCZFCYSA-N
MW310.39 g/mol
LogP2.20
Rot. Bonds6

About 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate

2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate (PubChem CID 70568138) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate.

Molecular Properties

Compound Name2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate
PubChem CID70568138
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate
SMILESCCC(C)c1ccccc1N[C@@H](C)C(=O)OC.NCC(=O)O
InChIInChI=1S/C14H21NO2.C2H5NO2/c1-5-10(2)12-8-6-7-9-13(12)15-11(3)14(16)17-4;3-1-2(4)5/h6-11,15H,5H2,1-4H3;1,3H2,(H,4,5)/t10?,11-;/m0./s1
InChIKeyFHHAIWDAUDXDDO-GQNCZFCYSA-N
XLogP2.20
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
CID 22814511
2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 57268227
2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate
CID 88764200
2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate
CID 70582155
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
methyl 2-(2-phenylanilino)propanoate
CID 54941069
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
methyl 2-anilinopropanoate
CID 3417283
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
ethyl 2-[2-(2-ethoxy-1-methylsulfanyl-2-oxoethyl)anilino]propanoate
CID 91740541
ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid
CID 70598935

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate?
The IUPAC name of 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate (CID 70568138) is 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate.
What is the SMILES notation for 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate?
The canonical SMILES for 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate is CCC(C)c1ccccc1N[C@@H](C)C(=O)OC.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate?
The InChIKey is FHHAIWDAUDXDDO-GQNCZFCYSA-N. The full InChI is InChI=1S/C14H21NO2.C2H5NO2/c1-5-10(2)12-8-6-7-9-13(12)15-11(3)14(16)17-4;3-1-2(4)5/h6-11,15H,5H2,1-4H3;1,3H2,(H,4,5)/t10?,11-;/m0./s1.
What are the key properties of 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate?
2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate has a molecular weight of 310.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate is sourced from PubChem (CID 70568138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).