(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid

C15H19NO4 — CID 10683926

IUPAC(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESCC(c1ccccc1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChIInChI=1S/C15H19NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,9,11-12,14,16H,7-8H2,1H3,(H,17,18)(H,19,20)/t9?,11-,12+,14-/m0/s1
InChIKeyFNTZLZXWLZXZRW-ODQCVHFNSA-N
MW277.32 g/mol
LogP1.55
Rot. Bonds5

About (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid

(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 10683926) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid
PubChem CID10683926
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESCC(c1ccccc1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChIInChI=1S/C15H19NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,9,11-12,14,16H,7-8H2,1H3,(H,17,18)(H,19,20)/t9?,11-,12+,14-/m0/s1
InChIKeyFNTZLZXWLZXZRW-ODQCVHFNSA-N
XLogP1.55
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid (CID 10683926) is (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid is CC(c1ccccc1)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O.
What is the InChIKey of (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FNTZLZXWLZXZRW-ODQCVHFNSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,9,11-12,14,16H,7-8H2,1H3,(H,17,18)(H,19,20)/t9?,11-,12+,14-/m0/s1.
What are the key properties of (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid?
(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10683926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).