(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid

C20H24N2O3 — CID 134918907

IUPAC(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESC[C@](N)(Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H24N2O3/c1-19(21,13-15-9-5-3-6-10-15)17(23)22-20(2,18(24)25)14-16-11-7-4-8-12-16/h3-12H,13-14,21H2,1-2H3,(H,22,23)(H,24,25)/t19-,20+/m0/s1
InChIKeyLQUGRBBPYAATOQ-VQTJNVASSA-N
MW340.42 g/mol
LogP2.15
Rot. Bonds7

About (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid

(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 134918907) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid
PubChem CID134918907
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESC[C@](N)(Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H24N2O3/c1-19(21,13-15-9-5-3-6-10-15)17(23)22-20(2,18(24)25)14-16-11-7-4-8-12-16/h3-12H,13-14,21H2,1-2H3,(H,22,23)(H,24,25)/t19-,20+/m0/s1
InChIKeyLQUGRBBPYAATOQ-VQTJNVASSA-N
XLogP2.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
CID 177194439
(2R)-2-amino-3-benzylsulfanyl-N-[(2R)-3-benzylsulfanyl-1-(2-benzylsulfanylethylamino)-2-methyl-1-oxopropan-2-yl]-2-methylpropanamide
CID 10698489
(2S)-2-amino-3-cyclohexyl-2-methylpropanoic acid;(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 162214178
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
2-anilino-2-methyl-3-phenylpropanamide
CID 55151227
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
2-methyl-3-phenyl-2-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 75429105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid (CID 134918907) is (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid is C[C@](N)(Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is LQUGRBBPYAATOQ-VQTJNVASSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-19(21,13-15-9-5-3-6-10-15)17(23)22-20(2,18(24)25)14-16-11-7-4-8-12-16/h3-12H,13-14,21H2,1-2H3,(H,22,23)(H,24,25)/t19-,20+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid?
(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 340.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 134918907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).