(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide

C14H22N2O — CID 79012840

IUPAC(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
SMILESCC(Cc1ccccc1)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)13(15)14(17)16-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9,15H2,1-3H3,(H,16,17)/t11?,13-/m1/s1
InChIKeyHRNZXPOCOFWVTG-GLGOKHISSA-N
MW234.34 g/mol
LogP1.72
Rot. Bonds5

About (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide

(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide (PubChem CID 79012840) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
PubChem CID79012840
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
SMILESCC(Cc1ccccc1)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)13(15)14(17)16-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9,15H2,1-3H3,(H,16,17)/t11?,13-/m1/s1
InChIKeyHRNZXPOCOFWVTG-GLGOKHISSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
(2S)-2-amino-N-[(2S,3R,4R,5S)-5-[[(2S)-2-amino-3-methylbutanoyl]amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3-methylbutanamide
CID 10368652
[(1R)-1-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-phenylethyl]boronic acid
CID 74765887
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
(2R)-2-amino-3-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11003677
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoate;hydrochloride
CID 67718842
4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 64890331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide (CID 79012840) is (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide is CC(Cc1ccccc1)NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide?
The InChIKey is HRNZXPOCOFWVTG-GLGOKHISSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)13(15)14(17)16-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9,15H2,1-3H3,(H,16,17)/t11?,13-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide?
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 79012840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).