(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid

C11H13NO5 — CID 169025333

IUPAC(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid
SMILESN[C@@H](Cc1cccc(OCC(=O)O)c1)C(=O)O
InChIInChI=1S/C11H13NO5/c12-9(11(15)16)5-7-2-1-3-8(4-7)17-6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyGNZYUUIYCWPWBT-VIFPVBQESA-N
MW239.23 g/mol
LogP0.10
Rot. Bonds6

About (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid

(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid (PubChem CID 169025333) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid
PubChem CID169025333
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid
SMILESN[C@@H](Cc1cccc(OCC(=O)O)c1)C(=O)O
InChIInChI=1S/C11H13NO5/c12-9(11(15)16)5-7-2-1-3-8(4-7)17-6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyGNZYUUIYCWPWBT-VIFPVBQESA-N
XLogP0.10
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[3-(2-fluoroethoxy)phenyl]propanoic acid
CID 144937795
2-amino-3-[3-(2,3-dichloropropoxy)phenyl]propanoic acid
CID 118195784
2-amino-3-[3-(2-amino-3-phenylpropanoyl)oxyphenyl]propanoic acid
CID 129143949
(2S)-2-amino-3-[3-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid
CID 69316412
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
(2R)-2-amino-3-[3-(3,4-dichlorophenoxy)phenyl]propanoic acid
CID 70117929
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
CID 19809864
2-aminoacetic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 22820957
2-aminoacetic acid;2-amino-3-phenylpropanoic acid
CID 22149659
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid (CID 169025333) is (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid is N[C@@H](Cc1cccc(OCC(=O)O)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid?
The InChIKey is GNZYUUIYCWPWBT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO5/c12-9(11(15)16)5-7-2-1-3-8(4-7)17-6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid?
(2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-(carboxymethoxy)phenyl]propanoic acid is sourced from PubChem (CID 169025333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).