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

C10H14N2O2 — CID 103691721

IUPAC(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C10H14N2O2/c1-7(11)10(14)12-9-4-2-8(6-13)3-5-9/h2-5,7,13H,6,11H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeyWVHYSQPIGWZPAZ-ZETCQYMHSA-N
MW194.23 g/mol
LogP0.46
Rot. Bonds3

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

(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide (PubChem CID 103691721) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
PubChem CID103691721
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C10H14N2O2/c1-7(11)10(14)12-9-4-2-8(6-13)3-5-9/h2-5,7,13H,6,11H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeyWVHYSQPIGWZPAZ-ZETCQYMHSA-N
XLogP0.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen
CID 142530006
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl formate
CID 155030194
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
(2R)-2-amino-N-phenylpropanamide
CID 10607114
(5R)-2,5-diamino-N'-[4-(hydroxymethyl)phenyl]hexanediamide
CID 134519915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide (CID 103691721) is (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide is C[C@H](N)C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide?
The InChIKey is WVHYSQPIGWZPAZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(11)10(14)12-9-4-2-8(6-13)3-5-9/h2-5,7,13H,6,11H2,1H3,(H,12,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide?
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide has a molecular weight of 194.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 103691721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).