(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol

C9H15N3O — CID 171230946

IUPAC(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
SMILESNc1ncccc1[C@@H](N)CCCO
InChIInChI=1S/C9H15N3O/c10-8(4-2-6-13)7-3-1-5-12-9(7)11/h1,3,5,8,13H,2,4,6,10H2,(H2,11,12)/t8-/m0/s1
InChIKeyQDNWAYRAEKZJJI-QMMMGPOBSA-N
MW181.24 g/mol
LogP0.44
Rot. Bonds4

About (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol

(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol (PubChem CID 171230946) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
PubChem CID171230946
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
SMILESNc1ncccc1[C@@H](N)CCCO
InChIInChI=1S/C9H15N3O/c10-8(4-2-6-13)7-3-1-5-12-9(7)11/h1,3,5,8,13H,2,4,6,10H2,(H2,11,12)/t8-/m0/s1
InChIKeyQDNWAYRAEKZJJI-QMMMGPOBSA-N
XLogP0.44
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol
CID 171203504
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
CID 125425283
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
CID 171211338
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
CID 171217585
3-[(1S)-1-amino-4-hydroxybutyl]benzene-1,2-diol
CID 171220556
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol?
The IUPAC name of (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol (CID 171230946) is (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol.
What is the SMILES notation for (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol?
The canonical SMILES for (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol is Nc1ncccc1[C@@H](N)CCCO.
What is the InChIKey of (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol?
The InChIKey is QDNWAYRAEKZJJI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O/c10-8(4-2-6-13)7-3-1-5-12-9(7)11/h1,3,5,8,13H,2,4,6,10H2,(H2,11,12)/t8-/m0/s1.
What are the key properties of (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol?
(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 171230946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).