(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol

C8H13N3O — CID 55291623

IUPAC(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cncc(N)c1
InChIInChI=1S/C8H13N3O/c1-5(12)8(10)6-2-7(9)4-11-3-6/h2-5,8,12H,9-10H2,1H3/t5-,8+/m0/s1
InChIKeyPVGBZHJAWIFJNQ-YLWLKBPMSA-N
MW167.21 g/mol
LogP0.04
Rot. Bonds2

About (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol

(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol (PubChem CID 55291623) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
PubChem CID55291623
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cncc(N)c1
InChIInChI=1S/C8H13N3O/c1-5(12)8(10)6-2-7(9)4-11-3-6/h2-5,8,12H,9-10H2,1H3/t5-,8+/m0/s1
InChIKeyPVGBZHJAWIFJNQ-YLWLKBPMSA-N
XLogP0.04
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-aminoethyl]pyridin-3-amine
CID 55275207
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 131014604
5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid
CID 55268758
(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 131463737
5-[(2R)-3-methylbut-3-en-2-yl]pyridin-3-amine
CID 176664173
5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 55274382
5-(1-amino-2,2,2-trifluoroethyl)pyridin-3-amine
CID 55270823
(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 130706086
1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol
CID 55270474
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol (CID 55291623) is (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol is C[C@H](O)[C@@H](N)c1cncc(N)c1.
What is the InChIKey of (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol?
The InChIKey is PVGBZHJAWIFJNQ-YLWLKBPMSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(12)8(10)6-2-7(9)4-11-3-6/h2-5,8,12H,9-10H2,1H3/t5-,8+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol?
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol has a molecular weight of 167.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 55291623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).