2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid

C8H15NO4 — CID 168742763

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
SMILESCC([15NH]C(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/i9+1
InChIKeyQVHJQCGUWFKTSE-QBZHADDCSA-N
MW190.20 g/mol
LogP0.98
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid (PubChem CID 168742763) has the molecular formula C8H15NO4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
PubChem CID168742763
Molecular FormulaC8H15NO4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
SMILESCC([15NH]C(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/i9+1
InChIKeyQVHJQCGUWFKTSE-QBZHADDCSA-N
XLogP0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 175909606
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 160991671
2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine
CID 175326422
(2S)-3,3,3-trideuterio-2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino](1,2-13C2)propanoic acid
CID 10241746
(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
CID 14657712
(2S)-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoic acid
CID 126628742
(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propanoic acid
CID 131853085
1-hydroxypyrrolidine-2,5-dione;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 67713087
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2828510
1,3-dichloro-5-methylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154809611
3-hydroxy-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 141364905
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid (CID 168742763) is 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid is CC([15NH]C(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid?
The InChIKey is QVHJQCGUWFKTSE-QBZHADDCSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/i9+1.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid has a molecular weight of 190.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid is sourced from PubChem (CID 168742763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).