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

C15H17NO4 — CID 10660003

IUPAC(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid
SMILESC=C(c1ccccc1)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChIInChI=1S/C15H17NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,11-12,14,16H,1,7-8H2,(H,17,18)(H,19,20)/t11-,12-,14-/m0/s1
InChIKeyRXXFWIJAVLCIFQ-OBJOEFQTSA-N
MW275.30 g/mol
LogP1.46
Rot. Bonds5

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

(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid (PubChem CID 10660003) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid
PubChem CID10660003
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid
SMILESC=C(c1ccccc1)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChIInChI=1S/C15H17NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,11-12,14,16H,1,7-8H2,(H,17,18)(H,19,20)/t11-,12-,14-/m0/s1
InChIKeyRXXFWIJAVLCIFQ-OBJOEFQTSA-N
XLogP1.46
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-Oxo-3-phenylpyrrolidine-2-carboxylic acid
CID 5307343
(4S)-4-Phenyl-L-proline
CID 12805582
(2S)-1-[(2S)-6-azaniumyl-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylate
CID 139146300
Pccg-4
CID 5311344
Phe-Pro-Glu
CID 44408683
(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
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Npc317970
CID 558649
(2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid
CID 6324634

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid (CID 10660003) is (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid is C=C(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-phenylethenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RXXFWIJAVLCIFQ-OBJOEFQTSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,11-12,14,16H,1,7-8H2,(H,17,18)(H,19,20)/t11-,12-,14-/m0/s1.
What are the key properties of (2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid?
(2S,3S,4R)-3-(carboxymethyl)-4-(1-phenylethenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.46, 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-phenylethenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10660003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).