2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid

C14H27NO3 — CID 65055792

IUPAC2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid
SMILESCCCC1CC(NC(C)(CCC)C(=O)O)CCO1
InChIInChI=1S/C14H27NO3/c1-4-6-12-10-11(7-9-18-12)15-14(3,8-5-2)13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyAUBQEGCZOFVFQF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.57
Rot. Bonds7

About 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid

2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid (PubChem CID 65055792) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid
PubChem CID65055792
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid
SMILESCCCC1CC(NC(C)(CCC)C(=O)O)CCO1
InChIInChI=1S/C14H27NO3/c1-4-6-12-10-11(7-9-18-12)15-14(3,8-5-2)13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyAUBQEGCZOFVFQF-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368
2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid
CID 65055879
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
CID 64728456
tert-butyl N-[2-methyl-1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 103991365
(2S,4S)-2-propyloxane-4-carboxylic acid
CID 928523
(2S,4R)-2-propyloxane-4-carboxylic acid
CID 7076362
(2S)-2-methyl-2-[3-[(2S)-oxan-2-yl]propanoylamino]pentanoic acid
CID 95278489
2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid
CID 103961391
tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
CID 103991105
tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027
2-methyl-2-(oxolan-3-ylamino)butanoic acid
CID 79789858
2-[(5,5-dimethylthian-3-yl)amino]-2-methylpentanoic acid
CID 79946766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid (CID 65055792) is 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid is CCCC1CC(NC(C)(CCC)C(=O)O)CCO1.
What is the InChIKey of 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid?
The InChIKey is AUBQEGCZOFVFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-6-12-10-11(7-9-18-12)15-14(3,8-5-2)13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid?
2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-propyloxan-4-yl)amino]pentanoic acid is sourced from PubChem (CID 65055792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).