(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide

C11H16N2O2 — CID 107231247

IUPAC(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C11H16N2O2/c1-8(12)11(15)13-6-9-2-4-10(7-14)5-3-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyPKRFMOVVSRNDGY-MRVPVSSYSA-N
MW208.26 g/mol
LogP0.14
Rot. Bonds4

About (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide

(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide (PubChem CID 107231247) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
PubChem CID107231247
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C11H16N2O2/c1-8(12)11(15)13-6-9-2-4-10(7-14)5-3-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyPKRFMOVVSRNDGY-MRVPVSSYSA-N
XLogP0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128
4-[[[(2S)-2-aminopropanoyl]amino]methyl]-N,N-diethylbenzamide
CID 119283561
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide (CID 107231247) is (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide is C[C@@H](N)C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide?
The InChIKey is PKRFMOVVSRNDGY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(12)11(15)13-6-9-2-4-10(7-14)5-3-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide?
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 107231247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).