[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium

C11H14N2O3U — CID 157140877

IUPAC[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium
SMILESCC(=O)[C@@H](N)Cc1ccc(NC(=O)O)cc1.[U]
InChIInChI=1S/C11H14N2O3.U/c1-7(14)10(12)6-8-2-4-9(5-3-8)13-11(15)16;/h2-5,10,13H,6,12H2,1H3,(H,15,16);/t10-;/m0./s1
InChIKeyGFVFNGGVWXUVJF-PPHPATTJSA-N
MW460.27 g/mol
LogP1.24
Rot. Bonds4

About [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium

[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium (PubChem CID 157140877) has the molecular formula C11H14N2O3U and a molecular weight of 460.27 g/mol. Its IUPAC name is [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium.

Molecular Properties

Compound Name[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium
PubChem CID157140877
Molecular FormulaC11H14N2O3U
Molecular Weight460.27 g/mol
Exact Mass460.15
IUPAC Name[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium
SMILESCC(=O)[C@@H](N)Cc1ccc(NC(=O)O)cc1.[U]
InChIInChI=1S/C11H14N2O3.U/c1-7(14)10(12)6-8-2-4-9(5-3-8)13-11(15)16;/h2-5,10,13H,6,12H2,1H3,(H,15,16);/t10-;/m0./s1
InChIKeyGFVFNGGVWXUVJF-PPHPATTJSA-N
XLogP1.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
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(2S)-2-amino-3-[4-(hydroxycarbamoylamino)phenyl]propanoic acid
CID 87167092
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2S)-2-amino-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]propanoic acid
CID 130323263
(2S)-2-amino-3-[4-[(2-amino-3-sulfanylpropanoyl)amino]phenyl]propanoic acid
CID 88968357
2-amino-3-[4-[[methyl(nitroso)carbamoyl]amino]phenyl]propanoic acid
CID 23271553
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
4-(4-acetamidophenyl)-3-aminobutanoic acid
CID 82350791
2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride
CID 22603322

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium?
The IUPAC name of [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium (CID 157140877) is [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium.
What is the SMILES notation for [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium?
The canonical SMILES for [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium is CC(=O)[C@@H](N)Cc1ccc(NC(=O)O)cc1.[U].
What is the InChIKey of [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium?
The InChIKey is GFVFNGGVWXUVJF-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14N2O3.U/c1-7(14)10(12)6-8-2-4-9(5-3-8)13-11(15)16;/h2-5,10,13H,6,12H2,1H3,(H,15,16);/t10-;/m0./s1.
What are the key properties of [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium?
[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium has a molecular weight of 460.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium is sourced from PubChem (CID 157140877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).