2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid

C14H20N2O3 — CID 61187307

IUPAC2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
SMILESCCC(C)(C)NC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-14(2,3)16-13(19)15-11(12(17)18)10-8-6-5-7-9-10/h5-9,11H,4H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeySSHDXANJXOMUMX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid

2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid (PubChem CID 61187307) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
PubChem CID61187307
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid
SMILESCCC(C)(C)NC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-14(2,3)16-13(19)15-11(12(17)18)10-8-6-5-7-9-10/h5-9,11H,4H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeySSHDXANJXOMUMX-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]-2-phenylacetic acid
CID 104899136
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
(2R)-2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylacetic acid
CID 62836836
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
(2R)-2-(3-methylpentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 61465982
(2R)-2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 175322110
2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid (CID 61187307) is 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid is CCC(C)(C)NC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is SSHDXANJXOMUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-14(2,3)16-13(19)15-11(12(17)18)10-8-6-5-7-9-10/h5-9,11H,4H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid?
2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-ylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 61187307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).