2-hydroxypropyl 2-(3-aminophenyl)propanoate

C12H17NO3 — CID 106592560

IUPAC2-hydroxypropyl 2-(3-aminophenyl)propanoate
SMILESCC(O)COC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C12H17NO3/c1-8(14)7-16-12(15)9(2)10-4-3-5-11(13)6-10/h3-6,8-9,14H,7,13H2,1-2H3
InChIKeyWYUPROCNWNGZEO-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.30
Rot. Bonds4

About 2-hydroxypropyl 2-(3-aminophenyl)propanoate

2-hydroxypropyl 2-(3-aminophenyl)propanoate (PubChem CID 106592560) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxypropyl 2-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-(3-aminophenyl)propanoate
PubChem CID106592560
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxypropyl 2-(3-aminophenyl)propanoate
SMILESCC(O)COC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C12H17NO3/c1-8(14)7-16-12(15)9(2)10-4-3-5-11(13)6-10/h3-6,8-9,14H,7,13H2,1-2H3
InChIKeyWYUPROCNWNGZEO-UHFFFAOYSA-N
XLogP1.30
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate
CID 106592581
(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592381
2-(3-aminophenyl)propanoate
CID 71650577
(3-methoxy-3-methylbutyl) 2-(3-aminophenyl)propanoate
CID 106592409
4-cyanobutyl 2-(3-aminophenyl)propanoate
CID 106592466
(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
CID 106592536
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592457
(2-cyanophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592473
(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592387
3-pyrrolidin-1-ylpropyl 2-(3-aminophenyl)propanoate
CID 106592484
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-(3-aminophenyl)propanoate?
The IUPAC name of 2-hydroxypropyl 2-(3-aminophenyl)propanoate (CID 106592560) is 2-hydroxypropyl 2-(3-aminophenyl)propanoate.
What is the SMILES notation for 2-hydroxypropyl 2-(3-aminophenyl)propanoate?
The canonical SMILES for 2-hydroxypropyl 2-(3-aminophenyl)propanoate is CC(O)COC(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-hydroxypropyl 2-(3-aminophenyl)propanoate?
The InChIKey is WYUPROCNWNGZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(14)7-16-12(15)9(2)10-4-3-5-11(13)6-10/h3-6,8-9,14H,7,13H2,1-2H3.
What are the key properties of 2-hydroxypropyl 2-(3-aminophenyl)propanoate?
2-hydroxypropyl 2-(3-aminophenyl)propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-(3-aminophenyl)propanoate is sourced from PubChem (CID 106592560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).