(3R,4S)-pyrrolidine-3,4-diamine

C4H11N3 — CID 11310351

IUPAC(3R,4S)-pyrrolidine-3,4-diamine
SMILESN[C@@H]1CNC[C@@H]1N
InChIInChI=1S/C4H11N3/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,5-6H2/t3-,4+
InChIKeyWCOQAGPRGRKKLM-ZXZARUISSA-N
MW101.15 g/mol
LogP-1.76
Rot. Bonds

About (3R,4S)-pyrrolidine-3,4-diamine

(3R,4S)-pyrrolidine-3,4-diamine (PubChem CID 11310351) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is (3R,4S)-pyrrolidine-3,4-diamine.

Molecular Properties

Compound Name(3R,4S)-pyrrolidine-3,4-diamine
PubChem CID11310351
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name(3R,4S)-pyrrolidine-3,4-diamine
SMILESN[C@@H]1CNC[C@@H]1N
InChIInChI=1S/C4H11N3/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,5-6H2/t3-,4+
InChIKeyWCOQAGPRGRKKLM-ZXZARUISSA-N
XLogP-1.76
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-pyrrolidine-3,4-diamine?
The IUPAC name of (3R,4S)-pyrrolidine-3,4-diamine (CID 11310351) is (3R,4S)-pyrrolidine-3,4-diamine.
What is the SMILES notation for (3R,4S)-pyrrolidine-3,4-diamine?
The canonical SMILES for (3R,4S)-pyrrolidine-3,4-diamine is N[C@@H]1CNC[C@@H]1N.
What is the InChIKey of (3R,4S)-pyrrolidine-3,4-diamine?
The InChIKey is WCOQAGPRGRKKLM-ZXZARUISSA-N. The full InChI is InChI=1S/C4H11N3/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,5-6H2/t3-,4+.
What are the key properties of (3R,4S)-pyrrolidine-3,4-diamine?
(3R,4S)-pyrrolidine-3,4-diamine has a molecular weight of 101.15 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-pyrrolidine-3,4-diamine is sourced from PubChem (CID 11310351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).