3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid

C11H21NO4 — CID 82323149

IUPAC3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid
SMILESCC(=O)N(CCCOC(C)C)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-9(2)16-8-4-6-12(10(3)13)7-5-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyXMYNNSUAXQUCIU-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds8

About 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid

3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid (PubChem CID 82323149) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid
PubChem CID82323149
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid
SMILESCC(=O)N(CCCOC(C)C)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-9(2)16-8-4-6-12(10(3)13)7-5-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyXMYNNSUAXQUCIU-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-propan-2-yloxypropyl(propyl)amino]propanoic acid
CID 82328087
3-[hexyl(3-propan-2-yloxypropyl)amino]propanoic acid
CID 82328377
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 82104126
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide
CID 113117131
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
3-[acetyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82323212
N,N,N',N'-tetrakis(3-propan-2-yloxypropyl)methanediamine
CID 135274460

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid?
The IUPAC name of 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid (CID 82323149) is 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid is CC(=O)N(CCCOC(C)C)CCC(=O)O.
What is the InChIKey of 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid?
The InChIKey is XMYNNSUAXQUCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9(2)16-8-4-6-12(10(3)13)7-5-11(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid?
3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-propan-2-yloxypropyl)amino]propanoic acid is sourced from PubChem (CID 82323149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).