ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate

C12H17NO3 — CID 43393105

IUPACethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
SMILESCCOC(=O)CNCC(O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-16-12(15)9-13-8-11(14)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3
InChIKeyRVLBHPSBMFHRCQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.87
Rot. Bonds6

About ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate

ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate (PubChem CID 43393105) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
PubChem CID43393105
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
SMILESCCOC(=O)CNCC(O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-16-12(15)9-13-8-11(14)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3
InChIKeyRVLBHPSBMFHRCQ-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate 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

ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
ethyl (3R,5S)-3,5-dihydroxy-5-phenylpentanoate
CID 23239477
ethyl 4-(carbamoylamino)-3-phenylbutanoate
CID 174939908
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
2-[(2-hydroxy-2-phenylethyl)amino]-N,N-diphenylacetamide
CID 140529749
2-[(2-hydroxy-2-phenylethyl)amino]-N-(2-methylphenyl)acetamide
CID 43389775
ethyl 2-(3,5-diphenylpentylamino)acetate
CID 21019958
ethyl 2-(benzylamino)acetate;oxalic acid
CID 17052843

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate (CID 43393105) is ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate is CCOC(=O)CNCC(O)c1ccccc1.
What is the InChIKey of ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate?
The InChIKey is RVLBHPSBMFHRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-16-12(15)9-13-8-11(14)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3.
What are the key properties of ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate?
ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate has a molecular weight of 223.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate is sourced from PubChem (CID 43393105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).