[(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol

C8H18N2O — CID 7449361

IUPAC[(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol
SMILESNCCCN1CCC[C@H]1CO
InChIInChI=1S/C8H18N2O/c9-4-2-6-10-5-1-3-8(10)7-11/h8,11H,1-7,9H2/t8-/m0/s1
InChIKeyDKZYZXCBFQTPCF-QMMMGPOBSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds4

About [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol

[(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol (PubChem CID 7449361) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol
PubChem CID7449361
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name[(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol
SMILESNCCCN1CCC[C@H]1CO
InChIInChI=1S/C8H18N2O/c9-4-2-6-10-5-1-3-8(10)7-11/h8,11H,1-7,9H2/t8-/m0/s1
InChIKeyDKZYZXCBFQTPCF-QMMMGPOBSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol (CID 7449361) is [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol is NCCCN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol?
The InChIKey is DKZYZXCBFQTPCF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O/c9-4-2-6-10-5-1-3-8(10)7-11/h8,11H,1-7,9H2/t8-/m0/s1.
What are the key properties of [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-aminopropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 7449361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).