2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid

C13H25NO3 — CID 65055607

IUPAC2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid
SMILESCCCC(NC1CCOC(C)(CC)C1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-4-6-11(12(15)16)14-10-7-8-17-13(3,5-2)9-10/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyGMVAPDDFKAWNRI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.18
Rot. Bonds6

About 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid

2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid (PubChem CID 65055607) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid
PubChem CID65055607
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid
SMILESCCCC(NC1CCOC(C)(CC)C1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-4-6-11(12(15)16)14-10-7-8-17-13(3,5-2)9-10/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyGMVAPDDFKAWNRI-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-3-ylamino)pentanoic acid
CID 63557369
2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid
CID 65055879
3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol
CID 106114365
2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
CID 103259393
1-(2-ethyl-2-methyloxan-4-yl)butan-1-ol
CID 83050928
(2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol
CID 107862364
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
CID 79894126
2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid
CID 83040810
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]hexanoic acid
CID 107146447
tert-butyl 3-[(2-ethyl-2-methyloxan-4-yl)amino]pyrrolidine-1-carboxylate
CID 107239343
2-(cyclopropylamino)heptanoic acid
CID 43754511
N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
CID 79395003

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid?
The IUPAC name of 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid (CID 65055607) is 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid is CCCC(NC1CCOC(C)(CC)C1)C(=O)O.
What is the InChIKey of 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid?
The InChIKey is GMVAPDDFKAWNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-11(12(15)16)14-10-7-8-17-13(3,5-2)9-10/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid?
2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid is sourced from PubChem (CID 65055607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).