(2R)-2-amino-3-(oxan-2-yl)propanoic acid

C8H15NO3 — CID 106702780

IUPAC(2R)-2-amino-3-(oxan-2-yl)propanoic acid
SMILESN[C@H](CC1CCCCO1)C(=O)O
InChIInChI=1S/C8H15NO3/c9-7(8(10)11)5-6-3-1-2-4-12-6/h6-7H,1-5,9H2,(H,10,11)/t6?,7-/m1/s1
InChIKeyXHRQGKXGXSRDQV-COBSHVIPSA-N
MW173.21 g/mol
LogP0.36
Rot. Bonds3

About (2R)-2-amino-3-(oxan-2-yl)propanoic acid

(2R)-2-amino-3-(oxan-2-yl)propanoic acid (PubChem CID 106702780) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2R)-2-amino-3-(oxan-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(oxan-2-yl)propanoic acid
PubChem CID106702780
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2R)-2-amino-3-(oxan-2-yl)propanoic acid
SMILESN[C@H](CC1CCCCO1)C(=O)O
InChIInChI=1S/C8H15NO3/c9-7(8(10)11)5-6-3-1-2-4-12-6/h6-7H,1-5,9H2,(H,10,11)/t6?,7-/m1/s1
InChIKeyXHRQGKXGXSRDQV-COBSHVIPSA-N
XLogP0.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-[(2R)-oxolan-2-yl]propanoic acid;hydrochloride
CID 155943705
2-amino-3-(1,4-oxazepan-2-yl)propanoic acid
CID 106491180
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
3-fluoro-4-(oxan-2-yl)butan-2-one
CID 105435805
2-cyano-3-(oxolan-2-yl)propanoic acid
CID 154380651
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
CID 176655691
(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid
CID 816683
(2R)-2-amino-3-(oxan-2-ylsulfanyl)propanoic acid
CID 131631691
ethyl 2-(oxan-2-ylmethyl)-3-oxobutanoate
CID 15304158
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(oxan-2-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(oxan-2-yl)propanoic acid (CID 106702780) is (2R)-2-amino-3-(oxan-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(oxan-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(oxan-2-yl)propanoic acid is N[C@H](CC1CCCCO1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(oxan-2-yl)propanoic acid?
The InChIKey is XHRQGKXGXSRDQV-COBSHVIPSA-N. The full InChI is InChI=1S/C8H15NO3/c9-7(8(10)11)5-6-3-1-2-4-12-6/h6-7H,1-5,9H2,(H,10,11)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(oxan-2-yl)propanoic acid?
(2R)-2-amino-3-(oxan-2-yl)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(oxan-2-yl)propanoic acid is sourced from PubChem (CID 106702780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).