(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid

C10H13NO5 — CID 124634776

IUPAC(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
SMILESCOc1cc([C@@H](N)C(=O)O)cc(OC)c1O
InChIInChI=1S/C10H13NO5/c1-15-6-3-5(8(11)10(13)14)4-7(16-2)9(6)12/h3-4,8,12H,11H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyUUXHEICYDHHALP-MRVPVSSYSA-N
MW227.22 g/mol
LogP0.49
Rot. Bonds4

About (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid

(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid (PubChem CID 124634776) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
PubChem CID124634776
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
SMILESCOc1cc([C@@H](N)C(=O)O)cc(OC)c1O
InChIInChI=1S/C10H13NO5/c1-15-6-3-5(8(11)10(13)14)4-7(16-2)9(6)12/h3-4,8,12H,11H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyUUXHEICYDHHALP-MRVPVSSYSA-N
XLogP0.49
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid
CID 10542024
(2S)-2-amino-2-(2-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 66512366
methyl (2S)-2-amino-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate;hydrochloride
CID 171215382
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid
CID 7139595
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
CID 66512825
(2S)-2-amino-2-[3,5-bis(methoxycarbonyl)phenyl]acetic acid
CID 66513431

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid (CID 124634776) is (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid is COc1cc([C@@H](N)C(=O)O)cc(OC)c1O.
What is the InChIKey of (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid?
The InChIKey is UUXHEICYDHHALP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-15-6-3-5(8(11)10(13)14)4-7(16-2)9(6)12/h3-4,8,12H,11H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid?
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid has a molecular weight of 227.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 124634776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).