2-(3-aminooxan-3-yl)acetic acid

C7H13NO3 — CID 64666864

IUPAC2-(3-aminooxan-3-yl)acetic acid
SMILESNC1(CC(=O)O)CCCOC1
InChIInChI=1S/C7H13NO3/c8-7(4-6(9)10)2-1-3-11-5-7/h1-5,8H2,(H,9,10)
InChIKeyKKOAGCQXFCPYMD-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.03
Rot. Bonds2

About 2-(3-aminooxan-3-yl)acetic acid

2-(3-aminooxan-3-yl)acetic acid (PubChem CID 64666864) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(3-aminooxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-aminooxan-3-yl)acetic acid
PubChem CID64666864
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(3-aminooxan-3-yl)acetic acid
SMILESNC1(CC(=O)O)CCCOC1
InChIInChI=1S/C7H13NO3/c8-7(4-6(9)10)2-1-3-11-5-7/h1-5,8H2,(H,9,10)
InChIKeyKKOAGCQXFCPYMD-UHFFFAOYSA-N
XLogP-0.03
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(3-aminooxan-3-yl)acetate
CID 75356322
2-(3-Aminooxan-3-yl)acetic acid hydrochloride
CID 122163485
4-Amino-2-methyloxane-4-carboxylic acid
CID 10855758
3-Amino-6-(3-carboxypropoxy)-3-methyl-6-oxohexanoic acid
CID 57315926
4-Amino-2-methyloxane-4-carboxylic acid hydrochloride
CID 67993594
2H-Pyran-3-acetic acid, 3-aminotetrahydro-, ethyl ester
CID 79849317
Methyl 2-(3-aminooxan-3-yl)propanoate
CID 118341582
methyl 2-[(3S)-3-aminooxan-3-yl]propanoate
CID 118341583
2-[3-(Methylamino)oxan-3-yl]acetic acid
CID 65236837
4-(1-Aminocyclopropyl)oxane-4-carboxylic acid
CID 82406235
3-(4-Aminooxan-4-YL)propanoic acid
CID 82411654
3-Amino-3-(oxan-4-YL)butanoic acid
CID 83697313

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminooxan-3-yl)acetic acid?
The IUPAC name of 2-(3-aminooxan-3-yl)acetic acid (CID 64666864) is 2-(3-aminooxan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-aminooxan-3-yl)acetic acid?
The canonical SMILES for 2-(3-aminooxan-3-yl)acetic acid is NC1(CC(=O)O)CCCOC1.
What is the InChIKey of 2-(3-aminooxan-3-yl)acetic acid?
The InChIKey is KKOAGCQXFCPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c8-7(4-6(9)10)2-1-3-11-5-7/h1-5,8H2,(H,9,10).
What are the key properties of 2-(3-aminooxan-3-yl)acetic acid?
2-(3-aminooxan-3-yl)acetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminooxan-3-yl)acetic acid is sourced from PubChem (CID 64666864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).