2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid

C11H22N2O3 — CID 82837836

IUPAC2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid
SMILESCC1CCC(C(NCCN(C)C)C(=O)O)O1
InChIInChI=1S/C11H22N2O3/c1-8-4-5-9(16-8)10(11(14)15)12-6-7-13(2)3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyHDVWWXDCYPGMIU-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.16
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid

2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid (PubChem CID 82837836) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid
PubChem CID82837836
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid
SMILESCC1CCC(C(NCCN(C)C)C(=O)O)O1
InChIInChI=1S/C11H22N2O3/c1-8-4-5-9(16-8)10(11(14)15)12-6-7-13(2)3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyHDVWWXDCYPGMIU-UHFFFAOYSA-N
XLogP0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetic acid
CID 82837839
(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 67022413
2-(5-methyloxolan-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 82838185
methyl 2-(3-azidopropylamino)-2-(5-methyloxolan-2-yl)acetate
CID 82837840
methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate
CID 82838186
N',N'-dimethyl-N-[(5-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 82834863
2-[formyl(methyl)amino]-2-(5-methyloxolan-2-yl)acetic acid
CID 82837052
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
4-hydroxy-2-methyl-4-(5-methyloxolan-2-yl)butanoic acid
CID 82839618
2-(3-fluoro-5-methylanilino)-2-(5-methyloxolan-2-yl)acetic acid
CID 82838300
methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate
CID 82837837
ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
CID 54895186

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid (CID 82837836) is 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid is CC1CCC(C(NCCN(C)C)C(=O)O)O1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid?
The InChIKey is HDVWWXDCYPGMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-4-5-9(16-8)10(11(14)15)12-6-7-13(2)3/h8-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid?
2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid has a molecular weight of 230.31 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(5-methyloxolan-2-yl)acetic acid is sourced from PubChem (CID 82837836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).