2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate

C18H31N3O4 — CID 70582155

IUPAC2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate
SMILESCC(C)c1ccccc1N[C@@H](C)C(=O)OCCN(C)C.NCC(=O)O
InChIInChI=1S/C16H26N2O2.C2H5NO2/c1-12(2)14-8-6-7-9-15(14)17-13(3)16(19)20-11-10-18(4)5;3-1-2(4)5/h6-9,12-13,17H,10-11H2,1-5H3;1,3H2,(H,4,5)/t13-;/m0./s1
InChIKeyXDWQVDYSVUUHLR-ZOWNYOTGSA-N
MW353.46 g/mol
LogP1.74
Rot. Bonds8

About 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate

2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate (PubChem CID 70582155) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate.

Molecular Properties

Compound Name2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate
PubChem CID70582155
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate
SMILESCC(C)c1ccccc1N[C@@H](C)C(=O)OCCN(C)C.NCC(=O)O
InChIInChI=1S/C16H26N2O2.C2H5NO2/c1-12(2)14-8-6-7-9-15(14)17-13(3)16(19)20-11-10-18(4)5;3-1-2(4)5/h6-9,12-13,17H,10-11H2,1-5H3;1,3H2,(H,4,5)/t13-;/m0./s1
InChIKeyXDWQVDYSVUUHLR-ZOWNYOTGSA-N
XLogP1.74
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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;methyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 70568138
2-aminoacetic acid;2-cyanoethyl (2S)-2-[2,6-di(propan-2-yl)anilino]propanoate
CID 70568707
2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
CID 22814511
2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
CID 20574837
ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid
CID 70598935
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)propanamide
CID 43088669
ethyl 2-[2-(2-ethoxy-1-methylsulfanyl-2-oxoethyl)anilino]propanoate
CID 91740541
2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
CID 24834682

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate?
The IUPAC name of 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate (CID 70582155) is 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate.
What is the SMILES notation for 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate?
The canonical SMILES for 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate is CC(C)c1ccccc1N[C@@H](C)C(=O)OCCN(C)C.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate?
The InChIKey is XDWQVDYSVUUHLR-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H26N2O2.C2H5NO2/c1-12(2)14-8-6-7-9-15(14)17-13(3)16(19)20-11-10-18(4)5;3-1-2(4)5/h6-9,12-13,17H,10-11H2,1-5H3;1,3H2,(H,4,5)/t13-;/m0./s1.
What are the key properties of 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate?
2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate has a molecular weight of 353.46 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate is sourced from PubChem (CID 70582155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).