2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane

C10H21NO3 — CID 143247677

IUPAC2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane
SMILESCC.CC1CC(N)CC(CC(=O)O)O1
InChIInChI=1S/C8H15NO3.C2H6/c1-5-2-6(9)3-7(12-5)4-8(10)11;1-2/h5-7H,2-4,9H2,1H3,(H,10,11);1-2H3
InChIKeyQMICNSYGQKRGAP-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.38
Rot. Bonds2

About 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane

2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane (PubChem CID 143247677) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane.

Molecular Properties

Compound Name2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane
PubChem CID143247677
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane
SMILESCC.CC1CC(N)CC(CC(=O)O)O1
InChIInChI=1S/C8H15NO3.C2H6/c1-5-2-6(9)3-7(12-5)4-8(10)11;1-2/h5-7H,2-4,9H2,1H3,(H,10,11);1-2H3
InChIKeyQMICNSYGQKRGAP-UHFFFAOYSA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane?
The IUPAC name of 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane (CID 143247677) is 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane.
What is the SMILES notation for 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane?
The canonical SMILES for 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane is CC.CC1CC(N)CC(CC(=O)O)O1.
What is the InChIKey of 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane?
The InChIKey is QMICNSYGQKRGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.C2H6/c1-5-2-6(9)3-7(12-5)4-8(10)11;1-2/h5-7H,2-4,9H2,1H3,(H,10,11);1-2H3.
What are the key properties of 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane?
2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane has a molecular weight of 203.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methyloxan-2-yl)acetic acid;ethane is sourced from PubChem (CID 143247677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).