(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen

C11H22N2O3 — CID 142530006

IUPAC(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen
SMILESCO.C[C@H](N)C(=O)Nc1ccc(CO)cc1.[H][H].[H][H]
InChIInChI=1S/C10H14N2O2.CH4O.2H2/c1-7(11)10(14)12-9-4-2-8(6-13)3-5-9;1-2;;/h2-5,7,13H,6,11H2,1H3,(H,12,14);2H,1H3;2*1H/t7-;;;/m0.../s1
InChIKeyPCHZNEWLOZYAGJ-QTPLPEIMSA-N
MW230.31 g/mol
LogP0.57
Rot. Bonds3

About (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen

(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen (PubChem CID 142530006) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen
PubChem CID142530006
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen
SMILESCO.C[C@H](N)C(=O)Nc1ccc(CO)cc1.[H][H].[H][H]
InChIInChI=1S/C10H14N2O2.CH4O.2H2/c1-7(11)10(14)12-9-4-2-8(6-13)3-5-9;1-2;;/h2-5,7,13H,6,11H2,1H3,(H,12,14);2H,1H3;2*1H/t7-;;;/m0.../s1
InChIKeyPCHZNEWLOZYAGJ-QTPLPEIMSA-N
XLogP0.57
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide
CID 103691721
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 formate
CID 155030194
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608
(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;methanol;molecular hydrogen?
The IUPAC name of (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen (CID 142530006) is (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen.
What is the SMILES notation for (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen?
The canonical SMILES for (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen is CO.C[C@H](N)C(=O)Nc1ccc(CO)cc1.[H][H].[H][H].
What is the InChIKey of (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen?
The InChIKey is PCHZNEWLOZYAGJ-QTPLPEIMSA-N. The full InChI is InChI=1S/C10H14N2O2.CH4O.2H2/c1-7(11)10(14)12-9-4-2-8(6-13)3-5-9;1-2;;/h2-5,7,13H,6,11H2,1H3,(H,12,14);2H,1H3;2*1H/t7-;;;/m0.../s1.
What are the key properties of (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen?
(2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen has a molecular weight of 230.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(hydroxymethyl)phenyl]propanamide;methanol;molecular hydrogen is sourced from PubChem (CID 142530006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).