propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate

C13H17NO4 — CID 14214037

IUPACpropyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate
SMILESCCCOC(=O)[C@H](Cc1ccc(O)cc1)NC=O
InChIInChI=1S/C13H17NO4/c1-2-7-18-13(17)12(14-9-15)8-10-3-5-11(16)6-4-10/h3-6,9,12,16H,2,7-8H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyGYMAQRHDPXSHDK-LBPRGKRZSA-N
MW251.28 g/mol
LogP1.00
Rot. Bonds7

About propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate

propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate (PubChem CID 14214037) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namepropyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate
PubChem CID14214037
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namepropyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate
SMILESCCCOC(=O)[C@H](Cc1ccc(O)cc1)NC=O
InChIInChI=1S/C13H17NO4/c1-2-7-18-13(17)12(14-9-15)8-10-3-5-11(16)6-4-10/h3-6,9,12,16H,2,7-8H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyGYMAQRHDPXSHDK-LBPRGKRZSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propyl (2S)-2-formamido-3-(4-hydroxyphenyl)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 (2S)-2-formamido-3-phenylpropanoate
CID 10198363
methyl 3-(4-butoxyphenyl)-2-formamidopropanoate
CID 90060303
butyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate
CID 6426993
hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate
CID 141493620
methyl (2S)-3-(4-hydroxyphenyl)-2-(3-oxoprop-1-enylamino)propanoate
CID 131859284
methyl 2-formamido-3-phenylpropanoate
CID 595529
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
ethyl 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157
ethyl 2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 3372562
ethyl (2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 101384304
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
butyl 2-(2-acetamidopropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 541920

Frequently Asked Questions

What is the IUPAC name of propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate (CID 14214037) is propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate is CCCOC(=O)[C@H](Cc1ccc(O)cc1)NC=O.
What is the InChIKey of propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate?
The InChIKey is GYMAQRHDPXSHDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-7-18-13(17)12(14-9-15)8-10-3-5-11(16)6-4-10/h3-6,9,12,16H,2,7-8H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate?
propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2S)-2-formamido-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 14214037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).