(3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid

C11H19N3O3 — CID 139543920

IUPAC(3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
SMILESN[C@]1(C(=O)O)CCCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C11H19N3O3/c12-11(10(16)17)4-2-6-14(7-11)9(15)8-3-1-5-13-8/h8,13H,1-7,12H2,(H,16,17)/t8-,11+/m0/s1
InChIKeySUBJMEFHZMBMDV-GZMMTYOYSA-N
MW241.29 g/mol
LogP-0.86
Rot. Bonds2

About (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid

(3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 139543920) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID139543920
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
SMILESN[C@]1(C(=O)O)CCCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C11H19N3O3/c12-11(10(16)17)4-2-6-14(7-11)9(15)8-3-1-5-13-8/h8,13H,1-7,12H2,(H,16,17)/t8-,11+/m0/s1
InChIKeySUBJMEFHZMBMDV-GZMMTYOYSA-N
XLogP-0.86
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid (CID 139543920) is (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid is N[C@]1(C(=O)O)CCCN(C(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is SUBJMEFHZMBMDV-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c12-11(10(16)17)4-2-6-14(7-11)9(15)8-3-1-5-13-8/h8,13H,1-7,12H2,(H,16,17)/t8-,11+/m0/s1.
What are the key properties of (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
(3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 139543920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).