2-[(2S,4S)-2-aminooxan-4-yl]acetic acid

C7H13NO3 — CID 129391535

IUPAC2-[(2S,4S)-2-aminooxan-4-yl]acetic acid
SMILESN[C@@H]1C[C@@H](CC(=O)O)CCO1
InChIInChI=1S/C7H13NO3/c8-6-3-5(1-2-11-6)4-7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyCABYYWOZFJDGCS-WDSKDSINSA-N
MW159.18 g/mol
LogP0.17
Rot. Bonds2

About 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid

2-[(2S,4S)-2-aminooxan-4-yl]acetic acid (PubChem CID 129391535) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,4S)-2-aminooxan-4-yl]acetic acid
PubChem CID129391535
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[(2S,4S)-2-aminooxan-4-yl]acetic acid
SMILESN[C@@H]1C[C@@H](CC(=O)O)CCO1
InChIInChI=1S/C7H13NO3/c8-6-3-5(1-2-11-6)4-7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyCABYYWOZFJDGCS-WDSKDSINSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminooxan-2-yl)acetic acid;hydrochloride
CID 154856623
2-[(2S,4S)-2-ethyloxan-4-yl]acetic acid
CID 95335801
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
2-(3,4-diaminocyclohexyl)acetic acid
CID 77276745
2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid
CID 134308641
2-[4-(trifluoromethyl)oxan-2-yl]acetic acid
CID 164905433
2-[(2S,4S)-2-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
CID 151991789
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-[3-(hydroxymethyl)cyclopentyl]acetic acid
CID 105430907
2-(4-amino-6-methyloxan-2-yl)acetic acid
CID 143247678
2-[(1S,3R)-3-fluorocyclopentyl]acetic acid
CID 105428900
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid?
The IUPAC name of 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid (CID 129391535) is 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid.
What is the SMILES notation for 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid?
The canonical SMILES for 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid is N[C@@H]1C[C@@H](CC(=O)O)CCO1.
What is the InChIKey of 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid?
The InChIKey is CABYYWOZFJDGCS-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO3/c8-6-3-5(1-2-11-6)4-7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid?
2-[(2S,4S)-2-aminooxan-4-yl]acetic acid has a molecular weight of 159.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-aminooxan-4-yl]acetic acid is sourced from PubChem (CID 129391535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).