2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid

C13H25NO3 — CID 114998033

IUPAC2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
SMILESCC(C)CC(C)(NCC1CCCCO1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-10(2)8-13(3,12(15)16)14-9-11-6-4-5-7-17-11/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyATUWFFRRQROMGH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.03
Rot. Bonds6

About 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid

2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid (PubChem CID 114998033) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
PubChem CID114998033
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
SMILESCC(C)CC(C)(NCC1CCCCO1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-10(2)8-13(3,12(15)16)14-9-11-6-4-5-7-17-11/h10-11,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyATUWFFRRQROMGH-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
CID 60990995
2,5-dimethyl-2-(oxolan-2-ylmethylamino)hexanamide
CID 54891779
2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 63323875
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid
CID 114994031
2,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 65378602
2-methyl-2-(methylamino)-4-(oxolan-2-ylmethylsulfanyl)pentanoic acid
CID 106495532
2-methyl-N-(oxan-2-ylmethyl)butan-2-amine
CID 43421983
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid (CID 114998033) is 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid is CC(C)CC(C)(NCC1CCCCO1)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid?
The InChIKey is ATUWFFRRQROMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(2)8-13(3,12(15)16)14-9-11-6-4-5-7-17-11/h10-11,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid?
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid is sourced from PubChem (CID 114998033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).