propan-2-yl 2-amino-3-phenoxypropanoate

C12H17NO3 — CID 123209648

IUPACpropan-2-yl 2-amino-3-phenoxypropanoate
SMILESCC(C)OC(=O)C(N)COc1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(2)16-12(14)11(13)8-15-10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3
InChIKeyLABCKPAFLBERNH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.34
Rot. Bonds5

About propan-2-yl 2-amino-3-phenoxypropanoate

propan-2-yl 2-amino-3-phenoxypropanoate (PubChem CID 123209648) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is propan-2-yl 2-amino-3-phenoxypropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3-phenoxypropanoate
PubChem CID123209648
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namepropan-2-yl 2-amino-3-phenoxypropanoate
SMILESCC(C)OC(=O)C(N)COc1ccccc1
InChIInChI=1S/C12H17NO3/c1-9(2)16-12(14)11(13)8-15-10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3
InChIKeyLABCKPAFLBERNH-UHFFFAOYSA-N
XLogP1.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-amino-3-phenoxypropanoate 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

tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114
propan-2-yl 2-methyl-4-phenoxybutanoate
CID 174931468
propan-2-yl 2-phenoxyacetate
CID 11367560
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
acetic acid;1-phenoxypropan-2-ol
CID 68567525
propan-2-yl 4-phenoxybutanoate
CID 71627864
1-phenoxypropan-2-yl benzoate
CID 59854364
(2-methyl-3-phenoxypropyl) 2-methylprop-2-enoate
CID 59969147
2-amino-4-methyl-5-phenoxy-N-phenylpentanamide
CID 152756408
2-phenoxyethyl 2-aminopropanoate
CID 61301873
ethane;1-phenoxypropan-2-ol
CID 90926921
2-hydroxy-3-phenoxypropanoic acid
CID 67592895

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3-phenoxypropanoate?
The IUPAC name of propan-2-yl 2-amino-3-phenoxypropanoate (CID 123209648) is propan-2-yl 2-amino-3-phenoxypropanoate.
What is the SMILES notation for propan-2-yl 2-amino-3-phenoxypropanoate?
The canonical SMILES for propan-2-yl 2-amino-3-phenoxypropanoate is CC(C)OC(=O)C(N)COc1ccccc1.
What is the InChIKey of propan-2-yl 2-amino-3-phenoxypropanoate?
The InChIKey is LABCKPAFLBERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(2)16-12(14)11(13)8-15-10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3.
What are the key properties of propan-2-yl 2-amino-3-phenoxypropanoate?
propan-2-yl 2-amino-3-phenoxypropanoate has a molecular weight of 223.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-3-phenoxypropanoate is sourced from PubChem (CID 123209648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).