3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid

C11H14N2O5 — CID 107324929

IUPAC3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C11H14N2O5/c12-11(10(16)17)1-2-13(6-11)4-7-3-8(14)9(15)5-18-7/h3,5,15H,1-2,4,6,12H2,(H,16,17)
InChIKeyIFXAZNJTGWQNLX-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.67
Rot. Bonds3

About 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid

3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324929) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID107324929
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(Cc2cc(=O)c(O)co2)C1
InChIInChI=1S/C11H14N2O5/c12-11(10(16)17)1-2-13(6-11)4-7-3-8(14)9(15)5-18-7/h3,5,15H,1-2,4,6,12H2,(H,16,17)
InChIKeyIFXAZNJTGWQNLX-UHFFFAOYSA-N
XLogP-0.67
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
(3S)-3-amino-1-[(3,5-dichlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 95206566
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one
CID 62068490
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
3-amino-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 56716705
5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one
CID 78995679
3-amino-1-[(2-chloro-6-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321493
3-amino-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321335
3-amino-1-[(3-chloro-4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321061
3-amino-1-[(2-hydroxynaphthalen-1-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107321075

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid (CID 107324929) is 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(Cc2cc(=O)c(O)co2)C1.
What is the InChIKey of 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IFXAZNJTGWQNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c12-11(10(16)17)1-2-13(6-11)4-7-3-8(14)9(15)5-18-7/h3,5,15H,1-2,4,6,12H2,(H,16,17).
What are the key properties of 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).