methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate

C14H19NO2 — CID 143152114

IUPACmethyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate
SMILESCOC(=O)[C@H](N)Cc1ccccc1CC1CC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(15)9-12-5-3-2-4-11(12)8-10-6-7-10/h2-5,10,13H,6-9,15H2,1H3/t13-/m1/s1
InChIKeyPLHMSJCOCJASIA-CYBMUJFWSA-N
MW233.31 g/mol
LogP1.68
Rot. Bonds5

About methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate

methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate (PubChem CID 143152114) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate
PubChem CID143152114
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate
SMILESCOC(=O)[C@H](N)Cc1ccccc1CC1CC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(15)9-12-5-3-2-4-11(12)8-10-6-7-10/h2-5,10,13H,6-9,15H2,1H3/t13-/m1/s1
InChIKeyPLHMSJCOCJASIA-CYBMUJFWSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[(2R)-2-amino-3-methoxy-3-oxopropyl]benzoate
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methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
methyl (2S)-2-amino-3-[2-(difluoromethyl)phenyl]propanoate
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methyl 2-amino-3-phenylpropanoate;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate?
The IUPAC name of methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate (CID 143152114) is methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate is COC(=O)[C@H](N)Cc1ccccc1CC1CC1.
What is the InChIKey of methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate?
The InChIKey is PLHMSJCOCJASIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)13(15)9-12-5-3-2-4-11(12)8-10-6-7-10/h2-5,10,13H,6-9,15H2,1H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate?
methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate has a molecular weight of 233.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate is sourced from PubChem (CID 143152114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).