2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid

C10H12ClNO3 — CID 83893924

IUPAC2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1ccc(C(N)C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-5-7-3-2-6(4-8(7)11)9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKeyJRYMSBROTPGQQK-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid

2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid (PubChem CID 83893924) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid
PubChem CID83893924
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1ccc(C(N)C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-5-7-3-2-6(4-8(7)11)9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKeyJRYMSBROTPGQQK-UHFFFAOYSA-N
XLogP1.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
CID 11401421
2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
CID 82478288
5-[(S)-amino(carboxy)methyl]-2-chlorobenzoic acid
CID 66512999
3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid
CID 117329480
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid
CID 117302661
3-[3-chloro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117395219
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
CID 117361170
2-amino-2-(3-chloro-4-pyrrolidin-1-ylphenyl)acetic acid
CID 77128938
2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117323071

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid (CID 83893924) is 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid is COCc1ccc(C(N)C(=O)O)cc1Cl.
What is the InChIKey of 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid?
The InChIKey is JRYMSBROTPGQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-15-5-7-3-2-6(4-8(7)11)9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid?
2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid has a molecular weight of 229.66 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid is sourced from PubChem (CID 83893924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).