(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid

C6H11NO3 — CID 14962798

IUPAC(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@H]1CCOC1
InChIInChI=1S/C6H11NO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyHAKFKLNJIKJGET-WHFBIAKZSA-N
MW145.16 g/mol
LogP-0.57
Rot. Bonds2

About (2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid

(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid (PubChem CID 14962798) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
PubChem CID14962798
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
SMILESN[C@H](C(=O)O)[C@H]1CCOC1
InChIInChI=1S/C6H11NO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKeyHAKFKLNJIKJGET-WHFBIAKZSA-N
XLogP-0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid (CID 14962798) is (2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid is N[C@H](C(=O)O)[C@H]1CCOC1.
What is the InChIKey of (2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid?
The InChIKey is HAKFKLNJIKJGET-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid?
(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid has a molecular weight of 145.16 g/mol, XLogP of -0.57, 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-[(3R)-oxolan-3-yl]acetic acid is sourced from PubChem (CID 14962798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).