(2S)-2-amino-2-(4-methoxyphenyl)acetamide

C9H12N2O2 — CID 54341108

IUPAC(2S)-2-amino-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc([C@H](N)C(N)=O)cc1
InChIInChI=1S/C9H12N2O2/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H2,11,12)/t8-/m0/s1
InChIKeyTZADAWVLFGIAKY-QMMMGPOBSA-N
MW180.21 g/mol
LogP0.18
Rot. Bonds3

About (2S)-2-amino-2-(4-methoxyphenyl)acetamide

(2S)-2-amino-2-(4-methoxyphenyl)acetamide (PubChem CID 54341108) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-methoxyphenyl)acetamide
PubChem CID54341108
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2S)-2-amino-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc([C@H](N)C(N)=O)cc1
InChIInChI=1S/C9H12N2O2/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H2,11,12)/t8-/m0/s1
InChIKeyTZADAWVLFGIAKY-QMMMGPOBSA-N
XLogP0.18
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
3-amino-3-(4-methoxyphenyl)-2-methylpropanamide
CID 67167673
(2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one
CID 164976966
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 163303603
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777
2-amino-2-(4-methoxyphenyl)-N-[2-(methylcarbamoylamino)ethyl]acetamide
CID 166322841
methyl (2R,3S)-2,3-diamino-3-(4-methoxyphenyl)propanoate
CID 135055623
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-methoxyphenyl)acetamide?
The IUPAC name of (2S)-2-amino-2-(4-methoxyphenyl)acetamide (CID 54341108) is (2S)-2-amino-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for (2S)-2-amino-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for (2S)-2-amino-2-(4-methoxyphenyl)acetamide is COc1ccc([C@H](N)C(N)=O)cc1.
What is the InChIKey of (2S)-2-amino-2-(4-methoxyphenyl)acetamide?
The InChIKey is TZADAWVLFGIAKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H2,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-methoxyphenyl)acetamide?
(2S)-2-amino-2-(4-methoxyphenyl)acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.18, 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 54341108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).