(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol

C9H15N3O — CID 130848050

IUPAC(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
SMILESCC[C@@H](N)[C@H](O)c1cccnc1N
InChIInChI=1S/C9H15N3O/c1-2-7(10)8(13)6-4-3-5-12-9(6)11/h3-5,7-8,13H,2,10H2,1H3,(H2,11,12)/t7-,8-/m1/s1
InChIKeyHUXOUIOLFAARGE-HTQZYQBOSA-N
MW181.24 g/mol
LogP0.43
Rot. Bonds3

About (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol

(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol (PubChem CID 130848050) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
PubChem CID130848050
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
SMILESCC[C@@H](N)[C@H](O)c1cccnc1N
InChIInChI=1S/C9H15N3O/c1-2-7(10)8(13)6-4-3-5-12-9(6)11/h3-5,7-8,13H,2,10H2,1H3,(H2,11,12)/t7-,8-/m1/s1
InChIKeyHUXOUIOLFAARGE-HTQZYQBOSA-N
XLogP0.43
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 116713305
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
CID 103449229
1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889665
3-(1-amino-2-methoxybutyl)pyridin-2-amine
CID 116715178
3-(1-amino-2-ethoxybutyl)pyridin-2-amine
CID 116716352
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497
(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
CID 125425283
1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol
CID 79062350

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol?
The IUPAC name of (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol (CID 130848050) is (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol is CC[C@@H](N)[C@H](O)c1cccnc1N.
What is the InChIKey of (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol?
The InChIKey is HUXOUIOLFAARGE-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-7(10)8(13)6-4-3-5-12-9(6)11/h3-5,7-8,13H,2,10H2,1H3,(H2,11,12)/t7-,8-/m1/s1.
What are the key properties of (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol?
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 130848050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).