2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine

C13H20N2O4 — CID 175326422

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine
SMILESCC(NC(=O)OC(C)(C)C)C(=O)O.c1ccncc1
InChIInChI=1S/C8H15NO4.C5H5N/c1-5(6(10)11)9-7(12)13-8(2,3)4;1-2-4-6-5-3-1/h5H,1-4H3,(H,9,12)(H,10,11);1-5H
InChIKeyFISOPJFRSZWCRJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.07
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine

2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine (PubChem CID 175326422) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine
PubChem CID175326422
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine
SMILESCC(NC(=O)OC(C)(C)C)C(=O)O.c1ccncc1
InChIInChI=1S/C8H15NO4.C5H5N/c1-5(6(10)11)9-7(12)13-8(2,3)4;1-2-4-6-5-3-1/h5H,1-4H3,(H,9,12)(H,10,11);1-5H
InChIKeyFISOPJFRSZWCRJ-UHFFFAOYSA-N
XLogP2.07
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
(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
(2S)-3,3,3-trideuterio-2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino](1,2-13C2)propanoic acid
CID 10241746
1,3-dichloro-5-methylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154809611
(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
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetic acid
CID 26601142
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2828510
1-hydroxypyrrolidine-2,5-dione;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 67713087
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine (CID 175326422) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine is CC(NC(=O)OC(C)(C)C)C(=O)O.c1ccncc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine?
The InChIKey is FISOPJFRSZWCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.C5H5N/c1-5(6(10)11)9-7(12)13-8(2,3)4;1-2-4-6-5-3-1/h5H,1-4H3,(H,9,12)(H,10,11);1-5H.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine?
2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine has a molecular weight of 268.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine is sourced from PubChem (CID 175326422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).