(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid

C15H23NO5 — CID 10542024

IUPAC(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid
SMILESCOc1c(OC(C)C)cc([C@@H](N)C(=O)O)cc1OC(C)C
InChIInChI=1S/C15H23NO5/c1-8(2)20-11-6-10(13(16)15(17)18)7-12(14(11)19-5)21-9(3)4/h6-9,13H,16H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeyDHYSFGNSFZEDMP-CYBMUJFWSA-N
MW297.35 g/mol
LogP2.35
Rot. Bonds7

About (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid

(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid (PubChem CID 10542024) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid
PubChem CID10542024
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid
SMILESCOc1c(OC(C)C)cc([C@@H](N)C(=O)O)cc1OC(C)C
InChIInChI=1S/C15H23NO5/c1-8(2)20-11-6-10(13(16)15(17)18)7-12(14(11)19-5)21-9(3)4/h6-9,13H,16H2,1-5H3,(H,17,18)/t13-/m1/s1
InChIKeyDHYSFGNSFZEDMP-CYBMUJFWSA-N
XLogP2.35
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
(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-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
CID 82478288
(2S)-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 102330677
(2R)-2-amino-2-(3-bromo-4-ethoxy-5-methoxyphenyl)acetic acid
CID 7139595
(2R)-3-methyl-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 93182014
(2S)-2-amino-2-[3,5-bis(methoxycarbonyl)phenyl]acetic acid
CID 66513431
3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 152687907
2-amino-2-(2-bromo-3-methoxy-5-propan-2-ylphenyl)acetic acid
CID 117486474
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
CID 117350532
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid?
The IUPAC name of (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid (CID 10542024) is (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid.
What is the SMILES notation for (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid?
The canonical SMILES for (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid is COc1c(OC(C)C)cc([C@@H](N)C(=O)O)cc1OC(C)C.
What is the InChIKey of (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid?
The InChIKey is DHYSFGNSFZEDMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO5/c1-8(2)20-11-6-10(13(16)15(17)18)7-12(14(11)19-5)21-9(3)4/h6-9,13H,16H2,1-5H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid?
(2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid has a molecular weight of 297.35 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[4-methoxy-3,5-di(propan-2-yloxy)phenyl]acetic acid is sourced from PubChem (CID 10542024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).