methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate

C13H19NO3 — CID 15193085

IUPACmethyl 3-hydroxy-2-(3-phenylpropylamino)propanoate
SMILESCOC(=O)C(CO)NCCCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-17-13(16)12(10-15)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12,14-15H,5,8-10H2,1H3
InChIKeyTZPQQLVVIDZQTF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.74
Rot. Bonds7

About methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate

methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate (PubChem CID 15193085) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(3-phenylpropylamino)propanoate
PubChem CID15193085
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 3-hydroxy-2-(3-phenylpropylamino)propanoate
SMILESCOC(=O)C(CO)NCCCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-17-13(16)12(10-15)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12,14-15H,5,8-10H2,1H3
InChIKeyTZPQQLVVIDZQTF-UHFFFAOYSA-N
XLogP0.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-phenylpropylamino)hexanoate
CID 113341951
methyl 4-hydroxy-2-(propylamino)butanoate;3-phenylpropan-1-ol
CID 174808720
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5-phenylpentanoate
CID 171550382
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride
CID 23302048
(3S)-3-[3-(4-ethoxyphenyl)propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 12011940
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
(2R)-2-(3-phenylpropylamino)butan-1-ol
CID 28724554
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate (CID 15193085) is methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate is COC(=O)C(CO)NCCCc1ccccc1.
What is the InChIKey of methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate?
The InChIKey is TZPQQLVVIDZQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-17-13(16)12(10-15)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12,14-15H,5,8-10H2,1H3.
What are the key properties of methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate?
methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate has a molecular weight of 237.30 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate is sourced from PubChem (CID 15193085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).