2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid

C15H22N2O3 — CID 76944505

IUPAC2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)C(N)C(C)(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-14(2,3)11(16)12(18)17-15(4,13(19)20)10-8-6-5-7-9-10/h5-9,11H,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyMQSMSWOLDLYMAP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.48
Rot. Bonds4

About 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid

2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid (PubChem CID 76944505) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
PubChem CID76944505
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)C(N)C(C)(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-14(2,3)11(16)12(18)17-15(4,13(19)20)10-8-6-5-7-9-10/h5-9,11H,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyMQSMSWOLDLYMAP-UHFFFAOYSA-N
XLogP1.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984964
2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid
CID 115867310
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid
CID 65464716
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62488029

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid (CID 76944505) is 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid is CC(NC(=O)C(N)C(C)(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid?
The InChIKey is MQSMSWOLDLYMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2,3)11(16)12(18)17-15(4,13(19)20)10-8-6-5-7-9-10/h5-9,11H,16H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid?
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 76944505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).