2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid

C12H23NO3 — CID 65161777

IUPAC2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
SMILESCCC(C)N(CCC1CCCO1)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-3-10(2)13(9-12(14)15)7-6-11-5-4-8-16-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyTZSNBQVCWHXLLI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds7

About 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid

2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid (PubChem CID 65161777) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
PubChem CID65161777
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
SMILESCCC(C)N(CCC1CCCO1)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-3-10(2)13(9-12(14)15)7-6-11-5-4-8-16-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyTZSNBQVCWHXLLI-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid
CID 65161725
2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
CID 65162256
4-[3-(oxolan-2-yl)propyl-propan-2-ylamino]butanoic acid
CID 65162413
2-[butan-2-yl-[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61439234
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 80671629
2-[cyclopropyl-[3-[(2S)-oxolan-2-yl]propanoyl]amino]acetic acid
CID 93332934
3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82327489
3-[[2-(oxolan-2-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 65157514
2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid
CID 107440629
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82327343

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid (CID 65161777) is 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid is CCC(C)N(CCC1CCCO1)CC(=O)O.
What is the InChIKey of 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid?
The InChIKey is TZSNBQVCWHXLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-10(2)13(9-12(14)15)7-6-11-5-4-8-16-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid?
2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 65161777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).