2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate

C19H24N2O4 — CID 22763650

IUPAC2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
SMILESCOC(=O)C(N)Cc1ccccc1.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2.C9H11NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-6,9H,7,11H2,1H3;1-5,8H,6,10H2,(H,11,12)
InChIKeyGBVJKFSXRGIZBB-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.37
Rot. Bonds6

About 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate

2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate (PubChem CID 22763650) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
PubChem CID22763650
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate
SMILESCOC(=O)C(N)Cc1ccccc1.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2.C9H11NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-6,9H,7,11H2,1H3;1-5,8H,6,10H2,(H,11,12)
InChIKeyGBVJKFSXRGIZBB-UHFFFAOYSA-N
XLogP1.37
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 70629808
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
CID 67831434
ethanol;methyl 2-amino-3-phenylpropanoate;hydrochloride
CID 174956794
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate?
The IUPAC name of 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate (CID 22763650) is 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate is COC(=O)C(N)Cc1ccccc1.NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate?
The InChIKey is GBVJKFSXRGIZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C9H11NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-6,9H,7,11H2,1H3;1-5,8H,6,10H2,(H,11,12).
What are the key properties of 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate?
2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate has a molecular weight of 344.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid;methyl 2-amino-3-phenylpropanoate is sourced from PubChem (CID 22763650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).