3-phenylpropyl 3-amino-2-methoxypropanoate

C13H19NO3 — CID 114144556

IUPAC3-phenylpropyl 3-amino-2-methoxypropanoate
SMILESCOC(CN)C(=O)OCCCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-16-12(10-14)13(15)17-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3
InChIKeySOLAFQXQNKVMBY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.14
Rot. Bonds7

About 3-phenylpropyl 3-amino-2-methoxypropanoate

3-phenylpropyl 3-amino-2-methoxypropanoate (PubChem CID 114144556) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-phenylpropyl 3-amino-2-methoxypropanoate.

Molecular Properties

Compound Name3-phenylpropyl 3-amino-2-methoxypropanoate
PubChem CID114144556
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-phenylpropyl 3-amino-2-methoxypropanoate
SMILESCOC(CN)C(=O)OCCCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-16-12(10-14)13(15)17-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3
InChIKeySOLAFQXQNKVMBY-UHFFFAOYSA-N
XLogP1.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 3-amino-2-methoxypropanoate
CID 114144555
3-phenylpropyl 4-(benzenesulfonyl)-2-methoxybutanoate
CID 91234404
methyl (2R)-2-(3-phenylpropoxy)propanoate
CID 103337959
methyl (2S)-2-(3-phenylpropoxy)propanoate
CID 103337960
(2R,3R)-2,3-dihydroxy-4-oxo-4-(3-phenylpropoxy)butanoic acid
CID 141000752
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]-4-phenylbutanoic acid
CID 106114004
5-methoxy-1-phenylheptan-4-one
CID 116707095
3-phenylpropyl 2-heptylundecanoate
CID 129279131
bis(3-phenylpropyl) hexanedioate
CID 59854363
tert-butyl 3-phenylpropyl carbonate
CID 24789021
2-hydroxy-3-(3-phenylpropoxy)but-2-enoic acid
CID 141152749
bis(3-phenylpropyl) decanedioate
CID 91710064

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 3-amino-2-methoxypropanoate?
The IUPAC name of 3-phenylpropyl 3-amino-2-methoxypropanoate (CID 114144556) is 3-phenylpropyl 3-amino-2-methoxypropanoate.
What is the SMILES notation for 3-phenylpropyl 3-amino-2-methoxypropanoate?
The canonical SMILES for 3-phenylpropyl 3-amino-2-methoxypropanoate is COC(CN)C(=O)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl 3-amino-2-methoxypropanoate?
The InChIKey is SOLAFQXQNKVMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-12(10-14)13(15)17-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3.
What are the key properties of 3-phenylpropyl 3-amino-2-methoxypropanoate?
3-phenylpropyl 3-amino-2-methoxypropanoate has a molecular weight of 237.30 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 3-amino-2-methoxypropanoate is sourced from PubChem (CID 114144556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).