(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid

C5H11N3O2 — CID 134211031

IUPAC(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
SMILESN[C@@H]1CN(C(=O)O)C[C@H]1N
InChIInChI=1S/C5H11N3O2/c6-3-1-8(5(9)10)2-4(3)7/h3-4H,1-2,6-7H2,(H,9,10)/t3-,4-/m1/s1
InChIKeyCDOZLPHFIBHXPK-QWWZWVQMSA-N
MW145.16 g/mol
LogP-1.37
Rot. Bonds

About (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid

(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid (PubChem CID 134211031) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
PubChem CID134211031
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
SMILESN[C@@H]1CN(C(=O)O)C[C@H]1N
InChIInChI=1S/C5H11N3O2/c6-3-1-8(5(9)10)2-4(3)7/h3-4H,1-2,6-7H2,(H,9,10)/t3-,4-/m1/s1
InChIKeyCDOZLPHFIBHXPK-QWWZWVQMSA-N
XLogP-1.37
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid (CID 134211031) is (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid is N[C@@H]1CN(C(=O)O)C[C@H]1N.
What is the InChIKey of (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid?
The InChIKey is CDOZLPHFIBHXPK-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H11N3O2/c6-3-1-8(5(9)10)2-4(3)7/h3-4H,1-2,6-7H2,(H,9,10)/t3-,4-/m1/s1.
What are the key properties of (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid?
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 134211031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).