(2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H16N2O5 — CID 66235685

IUPAC(2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1COCC1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O5/c11-7-4-17-3-6(7)9(14)12-2-5(13)1-8(12)10(15)16/h5-8,13H,1-4,11H2,(H,15,16)/t5-,6?,7?,8+/m1/s1
InChIKeyQNJZXUHLPHSYOA-CQRKAFIDSA-N
MW244.25 g/mol
LogP-1.99
Rot. Bonds2

About (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 66235685) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID66235685
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1COCC1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C10H16N2O5/c11-7-4-17-3-6(7)9(14)12-2-5(13)1-8(12)10(15)16/h5-8,13H,1-4,11H2,(H,15,16)/t5-,6?,7?,8+/m1/s1
InChIKeyQNJZXUHLPHSYOA-CQRKAFIDSA-N
XLogP-1.99
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001244
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175592
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2R,4R)-1-(4-amino-3-methyloxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79028885
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81099267
(2R,4R)-1-(3-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64892840
(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61161928
(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 115294948

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 66235685) is (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is NC1COCC1C(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QNJZXUHLPHSYOA-CQRKAFIDSA-N. The full InChI is InChI=1S/C10H16N2O5/c11-7-4-17-3-6(7)9(14)12-2-5(13)1-8(12)10(15)16/h5-8,13H,1-4,11H2,(H,15,16)/t5-,6?,7?,8+/m1/s1.
What are the key properties of (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(4-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66235685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).