(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide

C13H20N2O — CID 78985447

IUPAC(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
SMILESCCC(C)NC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-10(2)15-13(16)12(14)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1
InChIKeyRSGBNJYQGQOTON-TVKKRMFBSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds5

About (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide

(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide (PubChem CID 78985447) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
PubChem CID78985447
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
SMILESCCC(C)NC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-10(2)15-13(16)12(14)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1
InChIKeyRSGBNJYQGQOTON-TVKKRMFBSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide
CID 113264230
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466
2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119860539
(2R)-2-amino-N-pent-4-en-2-yl-3-phenylpropanamide
CID 103797386
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 43695355

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide (CID 78985447) is (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide is CCC(C)NC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide?
The InChIKey is RSGBNJYQGQOTON-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-10(2)15-13(16)12(14)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide?
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-butan-2-yl-3-phenylpropanamide is sourced from PubChem (CID 78985447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).