methyl 3-(2-methylpropoxyamino)propanoate

C8H17NO3 — CID 82715640

IUPACmethyl 3-(2-methylpropoxyamino)propanoate
SMILESCOC(=O)CCNOCC(C)C
InChIInChI=1S/C8H17NO3/c1-7(2)6-12-9-5-4-8(10)11-3/h7,9H,4-6H2,1-3H3
InChIKeyMXYZOVUQUVFBLY-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.73
Rot. Bonds6

About methyl 3-(2-methylpropoxyamino)propanoate

methyl 3-(2-methylpropoxyamino)propanoate (PubChem CID 82715640) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 3-(2-methylpropoxyamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylpropoxyamino)propanoate
PubChem CID82715640
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 3-(2-methylpropoxyamino)propanoate
SMILESCOC(=O)CCNOCC(C)C
InChIInChI=1S/C8H17NO3/c1-7(2)6-12-9-5-4-8(10)11-3/h7,9H,4-6H2,1-3H3
InChIKeyMXYZOVUQUVFBLY-UHFFFAOYSA-N
XLogP0.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylpropoxyamino)pentanoic acid
CID 103261565
methyl 3-(2,2,2-trifluoroethoxyamino)propanoate
CID 82722499
4-(2-methylpropoxymethoxyamino)butan-2-one
CID 155042337
methyl 21-methyldocosanoate
CID 14178788
methyl (4S)-4,13-dimethyltetradecanoate
CID 169491618
methyl 4,11-dimethyldodecanoate
CID 139586473
methyl 3-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]propanoate
CID 54935915
methyl 3-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]propanoate
CID 110978019
methyl 3-(2-methylpropylsulfonylamino)propanoate
CID 62733313
2-[2-(2-methylpropoxyamino)ethoxy]ethanol
CID 82715522
methyl 3-[3-(propan-2-ylamino)propoxy]propanoate
CID 106939689
methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate
CID 11862228

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylpropoxyamino)propanoate?
The IUPAC name of methyl 3-(2-methylpropoxyamino)propanoate (CID 82715640) is methyl 3-(2-methylpropoxyamino)propanoate.
What is the SMILES notation for methyl 3-(2-methylpropoxyamino)propanoate?
The canonical SMILES for methyl 3-(2-methylpropoxyamino)propanoate is COC(=O)CCNOCC(C)C.
What is the InChIKey of methyl 3-(2-methylpropoxyamino)propanoate?
The InChIKey is MXYZOVUQUVFBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(2)6-12-9-5-4-8(10)11-3/h7,9H,4-6H2,1-3H3.
What are the key properties of methyl 3-(2-methylpropoxyamino)propanoate?
methyl 3-(2-methylpropoxyamino)propanoate has a molecular weight of 175.23 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylpropoxyamino)propanoate is sourced from PubChem (CID 82715640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).