(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid

C9H10INO3 — CID 131029267

IUPAC(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
SMILESCOc1cccc(I)c1[C@H](N)C(=O)O
InChIInChI=1S/C9H10INO3/c1-14-6-4-2-3-5(10)7(6)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyJTIHYJZWAYKPCQ-QMMMGPOBSA-N
MW307.09 g/mol
LogP1.38
Rot. Bonds3

About (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid

(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid (PubChem CID 131029267) has the molecular formula C9H10INO3 and a molecular weight of 307.09 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
PubChem CID131029267
Molecular FormulaC9H10INO3
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
SMILESCOc1cccc(I)c1[C@H](N)C(=O)O
InChIInChI=1S/C9H10INO3/c1-14-6-4-2-3-5(10)7(6)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyJTIHYJZWAYKPCQ-QMMMGPOBSA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid
CID 84704990
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
CID 131039451
(2-iodo-6-methoxyphenyl)carbamic acid
CID 69416969
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
2-(2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 116810992
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
2-amino-2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)acetic acid
CID 117385402
methyl 2-iodo-6-methoxybenzoate
CID 91882308
ethyl (3R)-3-amino-3-(2,6-dimethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171240018

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid (CID 131029267) is (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid is COc1cccc(I)c1[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid?
The InChIKey is JTIHYJZWAYKPCQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10INO3/c1-14-6-4-2-3-5(10)7(6)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid?
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid has a molecular weight of 307.09 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid is sourced from PubChem (CID 131029267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).