methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C9H19N2O5- — CID 131738289

IUPACmethoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NCC(=O)O.C[N-]OC
InChIInChI=1S/C7H13NO4.C2H6NO/c1-7(2,3)12-6(11)8-4-5(9)10;1-3-4-2/h4H2,1-3H3,(H,8,11)(H,9,10);1-2H3/q;-1
InChIKeyGWPWVZIODIKJPW-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.15
Rot. Bonds3

About methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 131738289) has the molecular formula C9H19N2O5- and a molecular weight of 235.26 g/mol. Its IUPAC name is methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Namemethoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID131738289
Molecular FormulaC9H19N2O5-
Molecular Weight235.26 g/mol
Exact Mass235.13
IUPAC Namemethoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NCC(=O)O.C[N-]OC
InChIInChI=1S/C7H13NO4.C2H6NO/c1-7(2,3)12-6(11)8-4-5(9)10;1-3-4-2/h4H2,1-3H3,(H,8,11)(H,9,10);1-2H3/q;-1
InChIKeyGWPWVZIODIKJPW-UHFFFAOYSA-N
XLogP1.15
TPSA98.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
1-chloroethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 160654260
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
CID 5074020
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]acetic acid
CID 10423479
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
(2S)-2-deuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 138962729
tert-butyl N-[[2,4,6-trimethoxy-3,5-bis[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 102224062
(2E,6E)-1-methoxy-3,7,11-trimethyldodeca-2,6,10-triene;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 143996677
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965

Frequently Asked Questions

What is the IUPAC name of methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 131738289) is methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC(C)(C)OC(=O)NCC(=O)O.C[N-]OC.
What is the InChIKey of methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is GWPWVZIODIKJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4.C2H6NO/c1-7(2,3)12-6(11)8-4-5(9)10;1-3-4-2/h4H2,1-3H3,(H,8,11)(H,9,10);1-2H3/q;-1.
What are the key properties of methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 235.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 131738289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).