(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide

C10H14N2O2 — CID 127013339

IUPAC(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N)c(O)c1
InChIInChI=1S/C10H14N2O2/c1-6-3-4-8(9(13)5-6)12-10(14)7(2)11/h3-5,7,13H,11H2,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyGCMHARDIUDHKHK-SSDOTTSWSA-N
MW194.23 g/mol
LogP0.99
Rot. Bonds2

About (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide

(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide (PubChem CID 127013339) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
PubChem CID127013339
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N)c(O)c1
InChIInChI=1S/C10H14N2O2/c1-6-3-4-8(9(13)5-6)12-10(14)7(2)11/h3-5,7,13H,11H2,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyGCMHARDIUDHKHK-SSDOTTSWSA-N
XLogP0.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-hydroxy-5-methylphenyl)propanamide;hydrochloride
CID 159728581
(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
CID 97315329
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
methyl 2-[[(2R)-2-aminopropanoyl]amino]-5-methylbenzoate
CID 54991021
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 51166464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide (CID 127013339) is (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)N)c(O)c1.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide?
The InChIKey is GCMHARDIUDHKHK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-3-4-8(9(13)5-6)12-10(14)7(2)11/h3-5,7,13H,11H2,1-2H3,(H,12,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide?
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide has a molecular weight of 194.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 127013339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).