4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide

C10H14N2O2 — CID 130706174

IUPAC4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
SMILESC[C@H](O)[C@@H](N)c1ccc(C(N)=O)cc1
InChIInChI=1S/C10H14N2O2/c1-6(13)9(11)7-2-4-8(5-3-7)10(12)14/h2-6,9,13H,11H2,1H3,(H2,12,14)/t6-,9+/m0/s1
InChIKeyTUBJCGHUJYJIIP-IMTBSYHQSA-N
MW194.23 g/mol
LogP0.17
Rot. Bonds3

About 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide

4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide (PubChem CID 130706174) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
PubChem CID130706174
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
SMILESC[C@H](O)[C@@H](N)c1ccc(C(N)=O)cc1
InChIInChI=1S/C10H14N2O2/c1-6(13)9(11)7-2-4-8(5-3-7)10(12)14/h2-6,9,13H,11H2,1H3,(H2,12,14)/t6-,9+/m0/s1
InChIKeyTUBJCGHUJYJIIP-IMTBSYHQSA-N
XLogP0.17
TPSA89.34 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 ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
4-[(1S,2R)-1-amino-2-hydroxypropyl]benzoic acid
CID 131021441
4-(1-hydroxyethyl)benzamide
CID 22716490
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
4-(1-hydroxy-3-methylbutyl)benzamide
CID 118216553
4-[bromo(hydroxy)methyl]benzamide
CID 142783477
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
4-(1-hydroxypropyl)benzamide
CID 118219631
4-(3-methylpentan-2-yl)benzamide
CID 126657369
(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
CID 130779699
4-[(1R)-1-acetamidoethyl]benzamide
CID 175730971
1-amino-1-(4-nitrophenyl)propan-2-ol
CID 55268505

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide?
The IUPAC name of 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide (CID 130706174) is 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide is C[C@H](O)[C@@H](N)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide?
The InChIKey is TUBJCGHUJYJIIP-IMTBSYHQSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(13)9(11)7-2-4-8(5-3-7)10(12)14/h2-6,9,13H,11H2,1H3,(H2,12,14)/t6-,9+/m0/s1.
What are the key properties of 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide?
4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide has a molecular weight of 194.23 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide is sourced from PubChem (CID 130706174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).