2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid

C14H20N2O3 — CID 79256949

IUPAC2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
SMILESCC(C)(C)NCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)15-9-11(17)16-12(13(18)19)10-7-5-4-6-8-10/h4-8,12,15H,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyIQLFZWFDEJRMHI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.32
Rot. Bonds5

About 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid

2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid (PubChem CID 79256949) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
PubChem CID79256949
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
SMILESCC(C)(C)NCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)15-9-11(17)16-12(13(18)19)10-7-5-4-6-8-10/h4-8,12,15H,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyIQLFZWFDEJRMHI-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid
CID 103018116
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
(2S)-2-[(6,6-dimethyl-5-oxoheptanoyl)amino]-2-phenylacetic acid
CID 166385936
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
CID 62836836
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid (CID 79256949) is 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid is CC(C)(C)NCC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid?
The InChIKey is IQLFZWFDEJRMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)15-9-11(17)16-12(13(18)19)10-7-5-4-6-8-10/h4-8,12,15H,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid?
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 79256949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).