(2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid

C9H15NO4 — CID 45381175

IUPAC(2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid
SMILESCC[C@@H](C(=O)O)[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C9H15NO4/c1-2-5(8(11)12)6-3-4-7(10-6)9(13)14/h5-7,10H,2-4H2,1H3,(H,11,12)(H,13,14)/t5-,6+,7+/m1/s1
InChIKeyIXTPOUNUWYRVTF-VQVTYTSYSA-N
MW201.22 g/mol
LogP0.30
Rot. Bonds4

About (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid

(2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid (PubChem CID 45381175) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid
PubChem CID45381175
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid
SMILESCC[C@@H](C(=O)O)[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C9H15NO4/c1-2-5(8(11)12)6-3-4-7(10-6)9(13)14/h5-7,10H,2-4H2,1H3,(H,11,12)(H,13,14)/t5-,6+,7+/m1/s1
InChIKeyIXTPOUNUWYRVTF-VQVTYTSYSA-N
XLogP0.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid (CID 45381175) is (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid is CC[C@@H](C(=O)O)[C@@H]1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IXTPOUNUWYRVTF-VQVTYTSYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-5(8(11)12)6-3-4-7(10-6)9(13)14/h5-7,10H,2-4H2,1H3,(H,11,12)(H,13,14)/t5-,6+,7+/m1/s1.
What are the key properties of (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid?
(2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(1R)-1-carboxypropyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 45381175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).