(3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol

C6H15N3O — CID 72705244

IUPAC(3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol
SMILESNC[C@@H](N)[C@H]1CNC[C@H]1O
InChIInChI=1S/C6H15N3O/c7-1-5(8)4-2-9-3-6(4)10/h4-6,9-10H,1-3,7-8H2/t4-,5-,6-/m1/s1
InChIKeyAKDJPHMBIITIRR-HSUXUTPPSA-N
MW145.21 g/mol
LogP-2.15
Rot. Bonds2

About (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol

(3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol (PubChem CID 72705244) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol
PubChem CID72705244
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name(3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol
SMILESNC[C@@H](N)[C@H]1CNC[C@H]1O
InChIInChI=1S/C6H15N3O/c7-1-5(8)4-2-9-3-6(4)10/h4-6,9-10H,1-3,7-8H2/t4-,5-,6-/m1/s1
InChIKeyAKDJPHMBIITIRR-HSUXUTPPSA-N
XLogP-2.15
TPSA84.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-diaminoethyl)pyrrolidin-3-ol
CID 90034039
(1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride
CID 11252380
4-(2-aminoethyl)piperidine-3,5-diol
CID 82652211
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920
(3R,4R,5R)-5-[(1R)-1-fluoroethyl]piperidine-3,4-diol
CID 141296803
(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
CID 90897311
piperidine-3,4,5-triol;hydrochloride
CID 73223230
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
(1S)-1-cyclopentylethane-1,2-diamine
CID 55292792
(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
CID 10997956
(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol
CID 97168753

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol (CID 72705244) is (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol is NC[C@@H](N)[C@H]1CNC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol?
The InChIKey is AKDJPHMBIITIRR-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H15N3O/c7-1-5(8)4-2-9-3-6(4)10/h4-6,9-10H,1-3,7-8H2/t4-,5-,6-/m1/s1.
What are the key properties of (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol?
(3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol has a molecular weight of 145.21 g/mol, XLogP of -2.15, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol is sourced from PubChem (CID 72705244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).