2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid

C9H17NO3 — CID 150515745

IUPAC2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid
SMILESC=C(NC(C)C(=O)O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(8(11)12)10-7(2)13-9(3,4)5/h6,10H,2H2,1,3-5H3,(H,11,12)
InChIKeyIATXABCQNJJILH-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.34
Rot. Bonds4

About 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid

2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid (PubChem CID 150515745) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid
PubChem CID150515745
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid
SMILESC=C(NC(C)C(=O)O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(8(11)12)10-7(2)13-9(3,4)5/h6,10H,2H2,1,3-5H3,(H,11,12)
InChIKeyIATXABCQNJJILH-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]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

2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propanoic acid
CID 131853085
(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
tert-butyl N-(3-bromobut-3-en-2-yl)carbamate
CID 166659302
(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
(3S)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 131218171
2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;pyridine
CID 175326422
(2S)-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoyl]amino]propanoic acid
CID 157091063
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691
(2S)-4-methyl-3-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 146999621

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid (CID 150515745) is 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid is C=C(NC(C)C(=O)O)OC(C)(C)C.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid?
The InChIKey is IATXABCQNJJILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(8(11)12)10-7(2)13-9(3,4)5/h6,10H,2H2,1,3-5H3,(H,11,12).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid?
2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]propanoic acid is sourced from PubChem (CID 150515745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).