3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid

C11H19NO3 — CID 82330702

IUPAC3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid
SMILESC#CCN(CCCOC)CC(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6-12(7-5-8-15-3)9-10(2)11(13)14/h1,10H,5-9H2,2-3H3,(H,13,14)
InChIKeyMHEQRKMEOCQZKU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.68
Rot. Bonds8

About 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid

3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid (PubChem CID 82330702) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid
PubChem CID82330702
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid
SMILESC#CCN(CCCOC)CC(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6-12(7-5-8-15-3)9-10(2)11(13)14/h1,10H,5-9H2,2-3H3,(H,13,14)
InChIKeyMHEQRKMEOCQZKU-UHFFFAOYSA-N
XLogP0.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
CID 61418249
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932
3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181
3-[cyanomethyl(3-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82328543
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
CID 82330438
3-[hexyl(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
CID 82328417
2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid
CID 64582514
3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
CID 115731246

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid (CID 82330702) is 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid is C#CCN(CCCOC)CC(C)C(=O)O.
What is the InChIKey of 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid?
The InChIKey is MHEQRKMEOCQZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6-12(7-5-8-15-3)9-10(2)11(13)14/h1,10H,5-9H2,2-3H3,(H,13,14).
What are the key properties of 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid?
3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82330702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).