(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol

C10H22N2O2 — CID 62991883

IUPAC(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCCCN1CCCC1
InChIInChI=1S/C10H22N2O2/c13-9-10(14)8-11-4-3-7-12-5-1-2-6-12/h10-11,13-14H,1-9H2/t10-/m0/s1
InChIKeyPAZANWOITNYRSM-JTQLQIEISA-N
MW202.30 g/mol
LogP-0.58
Rot. Bonds7

About (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol

(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol (PubChem CID 62991883) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol
PubChem CID62991883
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCCCN1CCCC1
InChIInChI=1S/C10H22N2O2/c13-9-10(14)8-11-4-3-7-12-5-1-2-6-12/h10-11,13-14H,1-9H2/t10-/m0/s1
InChIKeyPAZANWOITNYRSM-JTQLQIEISA-N
XLogP-0.58
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62991874
3-(2-thiomorpholin-4-ylethylamino)propane-1,2-diol
CID 106325271
ethyl 3-hydroxy-4-(3-pyrrolidin-1-ylpropylamino)butanoate
CID 103250625
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
1-(4-methylphenoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669530
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669620
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 62641762
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 113422063

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol (CID 62991883) is (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol is OC[C@@H](O)CNCCCN1CCCC1.
What is the InChIKey of (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol?
The InChIKey is PAZANWOITNYRSM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O2/c13-9-10(14)8-11-4-3-7-12-5-1-2-6-12/h10-11,13-14H,1-9H2/t10-/m0/s1.
What are the key properties of (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol?
(2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol has a molecular weight of 202.30 g/mol, XLogP of -0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-pyrrolidin-1-ylpropylamino)propane-1,2-diol is sourced from PubChem (CID 62991883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).