2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid

C12H16N2O3 — CID 55078720

IUPAC2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
SMILESCNCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-12(11(16)17,14-10(15)8-13-2)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYYDZDKUFKWEJEA-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.32
Rot. Bonds5

About 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid

2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid (PubChem CID 55078720) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
PubChem CID55078720
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
SMILESCNCC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-12(11(16)17,14-10(15)8-13-2)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYYDZDKUFKWEJEA-UHFFFAOYSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 62679681
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
CID 62717159
2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
CID 66656181

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid (CID 55078720) is 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid is CNCC(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid?
The InChIKey is YYDZDKUFKWEJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(11(16)17,14-10(15)8-13-2)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid?
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 55078720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).