ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate

C14H21NO2 — CID 131738265

IUPACethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate
SMILESCCOC(=O)[C@@H](C)NC(C)(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-5-17-13(16)11(2)15-14(3,4)12-9-7-6-8-10-12/h6-11,15H,5H2,1-4H3/t11-/m1/s1
InChIKeyKKLJBKRZACHIPP-LLVKDONJSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds5

About ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate

ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate (PubChem CID 131738265) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate
PubChem CID131738265
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate
SMILESCCOC(=O)[C@@H](C)NC(C)(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-5-17-13(16)11(2)15-14(3,4)12-9-7-6-8-10-12/h6-11,15H,5H2,1-4H3/t11-/m1/s1
InChIKeyKKLJBKRZACHIPP-LLVKDONJSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-(2-phenylpropan-2-ylamino)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

ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
CID 105057990
N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride
CID 173404840
2-ethoxycarbonyl-4-hydroxy-4-phenylpentanoic acid
CID 113360333
ethyl (2R,3S)-2-bromo-3-hydroxy-3-phenylbutanoate
CID 11500207
diethyl (2S)-2-(tritylamino)butanedioate
CID 140997508
ethyl (2S)-2-[(2-fluoro-2-phenylacetyl)amino]propanoate
CID 22894970
2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid
CID 174702905
O-ethyl N-(2-phenylpropan-2-yl)carbamothioate
CID 101474964
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl 2-carbonochloridoyl-3-methyl-3-phenylbutanoate
CID 24974939

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate?
The IUPAC name of ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate (CID 131738265) is ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate.
What is the SMILES notation for ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate?
The canonical SMILES for ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate is CCOC(=O)[C@@H](C)NC(C)(C)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate?
The InChIKey is KKLJBKRZACHIPP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-17-13(16)11(2)15-14(3,4)12-9-7-6-8-10-12/h6-11,15H,5H2,1-4H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate?
ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate is sourced from PubChem (CID 131738265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).