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

C11H18N2O5 — CID 115294948

IUPAC(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCOCC1
InChIInChI=1S/C11H18N2O5/c12-11(1-3-18-4-2-11)10(17)13-6-7(14)5-8(13)9(15)16/h7-8,14H,1-6,12H2,(H,15,16)/t7-,8+/m1/s1
InChIKeyVWHGOWOWIYCOIO-SFYZADRCSA-N
MW258.27 g/mol
LogP-1.46
Rot. Bonds2

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

(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 115294948) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID115294948
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNC1(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCOCC1
InChIInChI=1S/C11H18N2O5/c12-11(1-3-18-4-2-11)10(17)13-6-7(14)5-8(13)9(15)16/h7-8,14H,1-6,12H2,(H,15,16)/t7-,8+/m1/s1
InChIKeyVWHGOWOWIYCOIO-SFYZADRCSA-N
XLogP-1.46
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-1-(3-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64892840
(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 113280688
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405
1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60952992
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220
(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115448609
1-[4-(aminomethyl)oxane-4-carbonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115439295
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115443975

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 115294948) is (2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is NC1(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)CCOCC1.
What is the InChIKey of (2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VWHGOWOWIYCOIO-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18N2O5/c12-11(1-3-18-4-2-11)10(17)13-6-7(14)5-8(13)9(15)16/h7-8,14H,1-6,12H2,(H,15,16)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -1.46, 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-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115294948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).