2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid

C12H23NO3 — CID 79790302

IUPAC2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid
SMILESCCC(C)(NCCCC1CCCO1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-12(2,11(14)15)13-8-4-6-10-7-5-9-16-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyYYVDVWANZFWHMQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.79
Rot. Bonds7

About 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid

2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid (PubChem CID 79790302) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid
PubChem CID79790302
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid
SMILESCCC(C)(NCCCC1CCCO1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-12(2,11(14)15)13-8-4-6-10-7-5-9-16-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyYYVDVWANZFWHMQ-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic 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-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65158999
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65159046
2-methyl-2-[3-(oxolan-2-yl)propylsulfinyl]propanoic acid
CID 81227541
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
2,2-dimethyl-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 65302675
2-(ethylamino)-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanoic acid
CID 106495705
2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55123659
3-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]butanoic acid
CID 65159095
(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
CID 95278489
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
CID 60990995
diethyl 2-ethyl-2-[3-(oxolan-2-yl)propyl]propanedioate
CID 103973035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid (CID 79790302) is 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid is CCC(C)(NCCCC1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid?
The InChIKey is YYVDVWANZFWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-12(2,11(14)15)13-8-4-6-10-7-5-9-16-10/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid?
2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid is sourced from PubChem (CID 79790302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).