(2S)-2-amino-2-(4-hydroxyphenyl)propanamide

C9H12N2O2 — CID 68535967

IUPAC(2S)-2-amino-2-(4-hydroxyphenyl)propanamide
SMILESC[C@@](N)(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C9H12N2O2/c1-9(11,8(10)13)6-2-4-7(12)5-3-6/h2-5,12H,11H2,1H3,(H2,10,13)/t9-/m0/s1
InChIKeyGHIPSOVQDPTUGE-VIFPVBQESA-N
MW180.21 g/mol
LogP0.05
Rot. Bonds2

About (2S)-2-amino-2-(4-hydroxyphenyl)propanamide

(2S)-2-amino-2-(4-hydroxyphenyl)propanamide (PubChem CID 68535967) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-hydroxyphenyl)propanamide
PubChem CID68535967
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2S)-2-amino-2-(4-hydroxyphenyl)propanamide
SMILESC[C@@](N)(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C9H12N2O2/c1-9(11,8(10)13)6-2-4-7(12)5-3-6/h2-5,12H,11H2,1H3,(H2,10,13)/t9-/m0/s1
InChIKeyGHIPSOVQDPTUGE-VIFPVBQESA-N
XLogP0.05
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-2-(4-hydroxyphenyl)propanamide (CID 68535967) is (2S)-2-amino-2-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-2-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-2-(4-hydroxyphenyl)propanamide is C[C@@](N)(C(N)=O)c1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-2-(4-hydroxyphenyl)propanamide?
The InChIKey is GHIPSOVQDPTUGE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(11,8(10)13)6-2-4-7(12)5-3-6/h2-5,12H,11H2,1H3,(H2,10,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-2-(4-hydroxyphenyl)propanamide has a molecular weight of 180.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 68535967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).