(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid

C11H13NO6 — CID 66512743

IUPAC(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)c([C@H](N)C(=O)O)c1O
InChIInChI=1S/C11H13NO6/c1-18-6-3-2-5(4-7(13)14)8(10(6)15)9(12)11(16)17/h2-3,9,15H,4,12H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
InChIKeyZHZXZCCVPZBEIU-VIFPVBQESA-N
MW255.23 g/mol
LogP0.11
Rot. Bonds5

About (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid

(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid (PubChem CID 66512743) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid
PubChem CID66512743
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)c([C@H](N)C(=O)O)c1O
InChIInChI=1S/C11H13NO6/c1-18-6-3-2-5(4-7(13)14)8(10(6)15)9(12)11(16)17/h2-3,9,15H,4,12H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
InChIKeyZHZXZCCVPZBEIU-VIFPVBQESA-N
XLogP0.11
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
CID 84689653
2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84794912
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090
2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid
CID 84713752
2-amino-2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117467276
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
CID 84688281
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
(2S)-2-amino-2-(2-hydroxy-4,6-dimethoxyphenyl)acetic acid
CID 66513076

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid (CID 66512743) is (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid is COc1ccc(CC(=O)O)c([C@H](N)C(=O)O)c1O.
What is the InChIKey of (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid?
The InChIKey is ZHZXZCCVPZBEIU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO6/c1-18-6-3-2-5(4-7(13)14)8(10(6)15)9(12)11(16)17/h2-3,9,15H,4,12H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid?
(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid has a molecular weight of 255.23 g/mol, XLogP of 0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid is sourced from PubChem (CID 66512743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).