2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid

C15H22N2O3 — CID 62489409

IUPAC2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid
SMILESCCC(C)N(C)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-5-11(2)17(4)14(20)16-15(3,13(18)19)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJOSDXHXFHUQMRD-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.43
Rot. Bonds5

About 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid

2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid (PubChem CID 62489409) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid
PubChem CID62489409
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid
SMILESCCC(C)N(C)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-5-11(2)17(4)14(20)16-15(3,13(18)19)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJOSDXHXFHUQMRD-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62488029
2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62488199
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid
CID 62489576
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984964
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid
CID 62834631
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid (CID 62489409) is 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid is CCC(C)N(C)C(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid?
The InChIKey is JOSDXHXFHUQMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-11(2)17(4)14(20)16-15(3,13(18)19)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid?
2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62489409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).