3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide

C12H18N2O2 — CID 107218545

IUPAC3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
SMILESC[C@H](CO)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(8-15)14-12(16)7-11(13)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8,13H2,1H3,(H,14,16)/t9-,11?/m1/s1
InChIKeyOBCGZXBTFJUXTO-BFHBGLAWSA-N
MW222.29 g/mol
LogP0.57
Rot. Bonds5

About 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide

3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide (PubChem CID 107218545) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
PubChem CID107218545
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
SMILESC[C@H](CO)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(8-15)14-12(16)7-11(13)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8,13H2,1H3,(H,14,16)/t9-,11?/m1/s1
InChIKeyOBCGZXBTFJUXTO-BFHBGLAWSA-N
XLogP0.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796
2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 61157521
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 79010019
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide (CID 107218545) is 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide is C[C@H](CO)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide?
The InChIKey is OBCGZXBTFJUXTO-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(8-15)14-12(16)7-11(13)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8,13H2,1H3,(H,14,16)/t9-,11?/m1/s1.
What are the key properties of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide?
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 107218545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).