(2S)-2-amino-2-(oxan-3-yl)acetic acid

C7H13NO3 — CID 107134850

IUPAC(2S)-2-amino-2-(oxan-3-yl)acetic acid
SMILESN[C@H](C(=O)O)C1CCCOC1
InChIInChI=1S/C7H13NO3/c8-6(7(9)10)5-2-1-3-11-4-5/h5-6H,1-4,8H2,(H,9,10)/t5?,6-/m0/s1
InChIKeyBGPODSGVEGWTLX-GDVGLLTNSA-N
MW159.18 g/mol
LogP-0.18
Rot. Bonds2

About (2S)-2-amino-2-(oxan-3-yl)acetic acid

(2S)-2-amino-2-(oxan-3-yl)acetic acid (PubChem CID 107134850) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S)-2-amino-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(oxan-3-yl)acetic acid
PubChem CID107134850
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S)-2-amino-2-(oxan-3-yl)acetic acid
SMILESN[C@H](C(=O)O)C1CCCOC1
InChIInChI=1S/C7H13NO3/c8-6(7(9)10)5-2-1-3-11-4-5/h5-6H,1-4,8H2,(H,9,10)/t5?,6-/m0/s1
InChIKeyBGPODSGVEGWTLX-GDVGLLTNSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
4-amino-4-(oxan-3-yl)butanoic acid
CID 82602426
bis(oxan-3-yl)methanamine
CID 107136437
2-(oxan-3-yl)butanoic acid
CID 82411862
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid
CID 103377892
[(1R)-1-amino-1-[(3R)-oxan-3-yl]propan-2-yl]-methylcarbamic acid
CID 69264040
2-[hydroxy(oxan-3-yl)methyl]butanoic acid
CID 63740789
2-(oxan-3-yl)-2-piperidin-1-ylacetic acid
CID 63740251
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(oxan-3-yl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(oxan-3-yl)acetic acid (CID 107134850) is (2S)-2-amino-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(oxan-3-yl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(oxan-3-yl)acetic acid is N[C@H](C(=O)O)C1CCCOC1.
What is the InChIKey of (2S)-2-amino-2-(oxan-3-yl)acetic acid?
The InChIKey is BGPODSGVEGWTLX-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13NO3/c8-6(7(9)10)5-2-1-3-11-4-5/h5-6H,1-4,8H2,(H,9,10)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-2-(oxan-3-yl)acetic acid?
(2S)-2-amino-2-(oxan-3-yl)acetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 107134850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).