2-amino-3-(3-hydroxyphenyl)propanoate

C9H10NO3- — CID 22492054

IUPAC2-amino-3-(3-hydroxyphenyl)propanoate
SMILESNC(Cc1cccc(O)c1)C(=O)[O-]
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1
InChIKeyJZKXXXDKRQWDET-UHFFFAOYSA-M
MW180.18 g/mol
LogP-0.99
Rot. Bonds3

About 2-amino-3-(3-hydroxyphenyl)propanoate

2-amino-3-(3-hydroxyphenyl)propanoate (PubChem CID 22492054) has the molecular formula C9H10NO3- and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-amino-3-(3-hydroxyphenyl)propanoate
PubChem CID22492054
Molecular FormulaC9H10NO3-
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name2-amino-3-(3-hydroxyphenyl)propanoate
SMILESNC(Cc1cccc(O)c1)C(=O)[O-]
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1
InChIKeyJZKXXXDKRQWDET-UHFFFAOYSA-M
XLogP-0.99
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
potassium 2-amino-3-phenylpropanoate
CID 23692488
copper bis((2S)-2-amino-3-phenylpropanoate)
CID 12989540
tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)
CID 173365455
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate
CID 170902484
(2S)-2-amino-3-(3-iodo-4-oxidophenyl)propanoate
CID 76763815
3-(2-nitropropyl)phenol
CID 55250663
(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
2-[(3-hydroxyphenyl)methyl]-3-phosphonopropanoic acid
CID 11065160
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxyphenyl)propanoate?
The IUPAC name of 2-amino-3-(3-hydroxyphenyl)propanoate (CID 22492054) is 2-amino-3-(3-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-amino-3-(3-hydroxyphenyl)propanoate?
The canonical SMILES for 2-amino-3-(3-hydroxyphenyl)propanoate is NC(Cc1cccc(O)c1)C(=O)[O-].
What is the InChIKey of 2-amino-3-(3-hydroxyphenyl)propanoate?
The InChIKey is JZKXXXDKRQWDET-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1.
What are the key properties of 2-amino-3-(3-hydroxyphenyl)propanoate?
2-amino-3-(3-hydroxyphenyl)propanoate has a molecular weight of 180.18 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxyphenyl)propanoate is sourced from PubChem (CID 22492054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).