(2-amino-3-phenoxypropyl) prop-2-enoate

C12H15NO3 — CID 69463364

IUPAC(2-amino-3-phenoxypropyl) prop-2-enoate
SMILESC=CC(=O)OCC(N)COc1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10H,1,8-9,13H2
InChIKeyICVPACNMRRSQKF-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.12
Rot. Bonds6

About (2-amino-3-phenoxypropyl) prop-2-enoate

(2-amino-3-phenoxypropyl) prop-2-enoate (PubChem CID 69463364) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2-amino-3-phenoxypropyl) prop-2-enoate.

Molecular Properties

Compound Name(2-amino-3-phenoxypropyl) prop-2-enoate
PubChem CID69463364
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(2-amino-3-phenoxypropyl) prop-2-enoate
SMILESC=CC(=O)OCC(N)COc1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10H,1,8-9,13H2
InChIKeyICVPACNMRRSQKF-UHFFFAOYSA-N
XLogP1.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxy-2-phenoxyethyl) prop-2-enoate
CID 66615997
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 91047100
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
1-[1-(1-phenoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 69379024
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;2-(phenoxymethyl)oxirane;propane
CID 91150847
[3-phenoxy-2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl] prop-2-enoate
CID 89212097
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
[1-phenoxy-3-[4-[4-(3-phenoxy-2-prop-2-enoyloxypropyl)sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-yl] prop-2-enoate
CID 23111056
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416
2-(1-phenoxyundecan-2-yloxy)ethyl prop-2-enoate
CID 69414913

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-phenoxypropyl) prop-2-enoate?
The IUPAC name of (2-amino-3-phenoxypropyl) prop-2-enoate (CID 69463364) is (2-amino-3-phenoxypropyl) prop-2-enoate.
What is the SMILES notation for (2-amino-3-phenoxypropyl) prop-2-enoate?
The canonical SMILES for (2-amino-3-phenoxypropyl) prop-2-enoate is C=CC(=O)OCC(N)COc1ccccc1.
What is the InChIKey of (2-amino-3-phenoxypropyl) prop-2-enoate?
The InChIKey is ICVPACNMRRSQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10H,1,8-9,13H2.
What are the key properties of (2-amino-3-phenoxypropyl) prop-2-enoate?
(2-amino-3-phenoxypropyl) prop-2-enoate has a molecular weight of 221.26 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-phenoxypropyl) prop-2-enoate is sourced from PubChem (CID 69463364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).