2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate

C17H24N2O4 — CID 88764200

IUPAC2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate
SMILESC#CCOC(=O)[C@H](C)Nc1ccccc1C(C)C.NCC(=O)O
InChIInChI=1S/C15H19NO2.C2H5NO2/c1-5-10-18-15(17)12(4)16-14-9-7-6-8-13(14)11(2)3;3-1-2(4)5/h1,6-9,11-12,16H,10H2,2-4H3;1,3H2,(H,4,5)/t12-;/m0./s1
InChIKeyBCNNIVBGWPAUNU-YDALLXLXSA-N
MW320.39 g/mol
LogP1.82
Rot. Bonds6

About 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate

2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate (PubChem CID 88764200) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate.

Molecular Properties

Compound Name2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate
PubChem CID88764200
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate
SMILESC#CCOC(=O)[C@H](C)Nc1ccccc1C(C)C.NCC(=O)O
InChIInChI=1S/C15H19NO2.C2H5NO2/c1-5-10-18-15(17)12(4)16-14-9-7-6-8-13(14)11(2)3;3-1-2(4)5/h1,6-9,11-12,16H,10H2,2-4H3;1,3H2,(H,4,5)/t12-;/m0./s1
InChIKeyBCNNIVBGWPAUNU-YDALLXLXSA-N
XLogP1.82
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoacetic acid;2-(dimethylamino)ethyl (2S)-2-(2-propan-2-ylanilino)propanoate
CID 70582155
2-aminoacetic acid;prop-2-ynyl (2S)-2-(2,3,5-trimethylanilino)propanoate
CID 88764113
2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 70568138
2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
CID 22814511
2-aminoacetic acid;2-cyanoethyl (2S)-2-[2,6-di(propan-2-yl)anilino]propanoate
CID 70568707
ethyl 2-(2-aminoacetyl)oxypropanoate;(2S)-2-(2-propan-2-ylanilino)propanoic acid
CID 70598935
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-aminoacetic acid;2,2,2-trichloroethyl (2S)-2-(2,3-dimethylanilino)propanoate
CID 70567541
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
CID 81071847
2-(dimethylamino)ethyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 57268227
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate?
The IUPAC name of 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate (CID 88764200) is 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate.
What is the SMILES notation for 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate?
The canonical SMILES for 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate is C#CCOC(=O)[C@H](C)Nc1ccccc1C(C)C.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate?
The InChIKey is BCNNIVBGWPAUNU-YDALLXLXSA-N. The full InChI is InChI=1S/C15H19NO2.C2H5NO2/c1-5-10-18-15(17)12(4)16-14-9-7-6-8-13(14)11(2)3;3-1-2(4)5/h1,6-9,11-12,16H,10H2,2-4H3;1,3H2,(H,4,5)/t12-;/m0./s1.
What are the key properties of 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate?
2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate has a molecular weight of 320.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;prop-2-ynyl (2S)-2-(2-propan-2-ylanilino)propanoate is sourced from PubChem (CID 88764200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).