(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid

C14H18N2O5 — CID 44570346

IUPAC(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid
SMILESN[C@@H](C(=O)O)[C@H](O)[C@@]1(C(=O)O)CC[C@H](c2ccccc2)N1
InChIInChI=1S/C14H18N2O5/c15-10(12(18)19)11(17)14(13(20)21)7-6-9(16-14)8-4-2-1-3-5-8/h1-5,9-11,16-17H,6-7,15H2,(H,18,19)(H,20,21)/t9-,10-,11+,14-/m1/s1
InChIKeyZJHJQHPNFGGFDP-NJBDSQKTSA-N
MW294.31 g/mol
LogP-0.29
Rot. Bonds5

About (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid

(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid (PubChem CID 44570346) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid
PubChem CID44570346
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid
SMILESN[C@@H](C(=O)O)[C@H](O)[C@@]1(C(=O)O)CC[C@H](c2ccccc2)N1
InChIInChI=1S/C14H18N2O5/c15-10(12(18)19)11(17)14(13(20)21)7-6-9(16-14)8-4-2-1-3-5-8/h1-5,9-11,16-17H,6-7,15H2,(H,18,19)(H,20,21)/t9-,10-,11+,14-/m1/s1
InChIKeyZJHJQHPNFGGFDP-NJBDSQKTSA-N
XLogP-0.29
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid (CID 44570346) is (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid is N[C@@H](C(=O)O)[C@H](O)[C@@]1(C(=O)O)CC[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is ZJHJQHPNFGGFDP-NJBDSQKTSA-N. The full InChI is InChI=1S/C14H18N2O5/c15-10(12(18)19)11(17)14(13(20)21)7-6-9(16-14)8-4-2-1-3-5-8/h1-5,9-11,16-17H,6-7,15H2,(H,18,19)(H,20,21)/t9-,10-,11+,14-/m1/s1.
What are the key properties of (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid?
(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of -0.29, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 44570346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).