(2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol

C8H18N2O — CID 130557930

IUPAC(2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1C(N)CCN1C[C@H](C)O
InChIInChI=1S/C8H18N2O/c1-6(11)5-10-4-3-8(9)7(10)2/h6-8,11H,3-5,9H2,1-2H3/t6-,7?,8?/m0/s1
InChIKeyJTQQIXOAXNVONG-KKMMWDRVSA-N
MW158.25 g/mol
LogP-0.21
Rot. Bonds2

About (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol

(2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 130557930) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID130557930
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1C(N)CCN1C[C@H](C)O
InChIInChI=1S/C8H18N2O/c1-6(11)5-10-4-3-8(9)7(10)2/h6-8,11H,3-5,9H2,1-2H3/t6-,7?,8?/m0/s1
InChIKeyJTQQIXOAXNVONG-KKMMWDRVSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol
CID 130557984
3-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-2-methylpropanamide
CID 130993208
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
1-(3-methoxy-2-methylpropyl)-2,3-dimethylpiperidin-4-amine
CID 79406409
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol
CID 131165895
1-(4-aminopiperidin-1-yl)propan-2-ol
CID 60886845
3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid
CID 130558045
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
azane;1,2-dimethylpyrrolidin-3-amine
CID 175027569
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol (CID 130557930) is (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol is CC1C(N)CCN1C[C@H](C)O.
What is the InChIKey of (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is JTQQIXOAXNVONG-KKMMWDRVSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(11)5-10-4-3-8(9)7(10)2/h6-8,11H,3-5,9H2,1-2H3/t6-,7?,8?/m0/s1.
What are the key properties of (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol?
(2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 158.25 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-amino-2-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 130557930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).