2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid

C14H27NO3 — CID 65058078

IUPAC2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCOC(C(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-11(4)15(9-14(16)17)12-6-7-18-13(8-12)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyWDJAQODYJNVSGC-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds6

About 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid

2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid (PubChem CID 65058078) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid
PubChem CID65058078
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCOC(C(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-11(4)15(9-14(16)17)12-6-7-18-13(8-12)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyWDJAQODYJNVSGC-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic 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-(N-(2-propan-2-yloxan-4-yl)anilino)acetic acid
CID 65059336
2-(4-chloro-N-(2-propan-2-yloxan-4-yl)anilino)acetic acid
CID 65057802
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65057438
4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid
CID 66267670
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine
CID 79116171
4-oxo-4-[(2-propan-2-yloxan-4-yl)amino]butanoic acid
CID 120551271
2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid
CID 60884187
2-[ethyl-[3-[(2-pentan-3-yloxan-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122009364
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid (CID 65058078) is 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid is CCC(C)N(CC(=O)O)C1CCOC(C(C)C)C1.
What is the InChIKey of 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid?
The InChIKey is WDJAQODYJNVSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-11(4)15(9-14(16)17)12-6-7-18-13(8-12)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid?
2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 6 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-propan-2-yloxan-4-yl)amino]acetic acid is sourced from PubChem (CID 65058078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).