(2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid

C7H13NO3 — CID 11500041

IUPAC(2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid
SMILESC[C@@H](N)[C@H]1CC[C@@H](C(=O)O)O1
InChIInChI=1S/C7H13NO3/c1-4(8)5-2-3-6(11-5)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/t4-,5-,6+/m1/s1
InChIKeyAQUMMLVSQTVCGS-PBXRRBTRSA-N
MW159.19 g/mol
LogP-0.03
Rot. Bonds2

About (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid

(2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid (PubChem CID 11500041) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid
PubChem CID11500041
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid
SMILESC[C@@H](N)[C@H]1CC[C@@H](C(=O)O)O1
InChIInChI=1S/C7H13NO3/c1-4(8)5-2-3-6(11-5)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/t4-,5-,6+/m1/s1
InChIKeyAQUMMLVSQTVCGS-PBXRRBTRSA-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 ≤ 500159.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylic acid
CID 11708844
(2S,5S)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 11644759
methyl (2R,5R)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylate
CID 11652169
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2R,5R)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]oxolane-2-carboxylic acid
CID 11673328
(2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide
CID 77059008
(2S,5S)-5-carbamoyloxolane-2-carboxylic acid
CID 97358936
(2R)-5-methyloxolane-2-carboxylic acid
CID 58055098
(2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid
CID 10523885
(2R,5S)-5-[methyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944175
(2S,3S,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-ol
CID 163085908
(2S,6R)-oxane-2,6-dicarboxylic acid
CID 22804348

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid (CID 11500041) is (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid is C[C@@H](N)[C@H]1CC[C@@H](C(=O)O)O1.
What is the InChIKey of (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid?
The InChIKey is AQUMMLVSQTVCGS-PBXRRBTRSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4(8)5-2-3-6(11-5)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/t4-,5-,6+/m1/s1.
What are the key properties of (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid?
(2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid has a molecular weight of 159.19 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 (2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 11500041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).