3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide

C13H19N3O2 — CID 106096490

IUPAC3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-13(2,8-10(14)17)16-12(18)11(15)9-6-4-3-5-7-9/h3-7,11H,8,15H2,1-2H3,(H2,14,17)(H,16,18)/t11-/m1/s1
InChIKeyLHZMQDDOVGZZTC-LLVKDONJSA-N
MW249.31 g/mol
LogP0.46
Rot. Bonds5

About 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide

3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide (PubChem CID 106096490) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide
PubChem CID106096490
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-13(2,8-10(14)17)16-12(18)11(15)9-6-4-3-5-7-9/h3-7,11H,8,15H2,1-2H3,(H2,14,17)(H,16,18)/t11-/m1/s1
InChIKeyLHZMQDDOVGZZTC-LLVKDONJSA-N
XLogP0.46
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 104897348
(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 104898280
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-phenylacetamide
CID 105058224
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62520326
5-amino-3,3-dimethyl-5-phenylpentanamide
CID 62933322
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide (CID 106096490) is 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide is CC(C)(CC(N)=O)NC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide?
The InChIKey is LHZMQDDOVGZZTC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,8-10(14)17)16-12(18)11(15)9-6-4-3-5-7-9/h3-7,11H,8,15H2,1-2H3,(H2,14,17)(H,16,18)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide?
3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106096490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).