(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one

C12H17NO2 — CID 139478348

IUPAC(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-8(2)12(15)11(13)7-9-3-5-10(14)6-4-9/h3-6,8,11,14H,7,13H2,1-2H3/t11-/m1/s1
InChIKeyHOZWDEAVDXQKRF-LLVKDONJSA-N
MW207.27 g/mol
LogP1.49
Rot. Bonds4

About (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one

(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one (PubChem CID 139478348) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
PubChem CID139478348
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-8(2)12(15)11(13)7-9-3-5-10(14)6-4-9/h3-6,8,11,14H,7,13H2,1-2H3/t11-/m1/s1
InChIKeyHOZWDEAVDXQKRF-LLVKDONJSA-N
XLogP1.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl] 2-methylpropanoate
CID 57233650
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one?
The IUPAC name of (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one (CID 139478348) is (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one.
What is the SMILES notation for (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one?
The canonical SMILES for (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one is CC(C)C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one?
The InChIKey is HOZWDEAVDXQKRF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)12(15)11(13)7-9-3-5-10(14)6-4-9/h3-6,8,11,14H,7,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one?
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one has a molecular weight of 207.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one is sourced from PubChem (CID 139478348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).