(2S,3R)-2-aminopentane-1,3-diol

C5H13NO2 — CID 44561573

IUPAC(2S,3R)-2-aminopentane-1,3-diol
SMILESCC[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C5H13NO2/c1-2-5(8)4(6)3-7/h4-5,7-8H,2-3,6H2,1H3/t4-,5+/m0/s1
InChIKeyPJBQQLVBENTUQY-CRCLSJGQSA-N
MW119.16 g/mol
LogP-0.92
Rot. Bonds3

About (2S,3R)-2-aminopentane-1,3-diol

(2S,3R)-2-aminopentane-1,3-diol (PubChem CID 44561573) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2S,3R)-2-aminopentane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-aminopentane-1,3-diol
PubChem CID44561573
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2S,3R)-2-aminopentane-1,3-diol
SMILESCC[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C5H13NO2/c1-2-5(8)4(6)3-7/h4-5,7-8H,2-3,6H2,1H3/t4-,5+/m0/s1
InChIKeyPJBQQLVBENTUQY-CRCLSJGQSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 89364894
(3R,4S)-4-aminohexan-3-ol
CID 640991
(2S)-1,2-diaminopentan-3-ol
CID 129142351
(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol
CID 46884294
(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol
CID 86651329
2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol
CID 159063171
pentane-1,2,3-triol
CID 547785
(2S,3S)-pentane-1,2,3-triol
CID 11636797
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
CID 176655743

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-aminopentane-1,3-diol?
The IUPAC name of (2S,3R)-2-aminopentane-1,3-diol (CID 44561573) is (2S,3R)-2-aminopentane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-aminopentane-1,3-diol?
The canonical SMILES for (2S,3R)-2-aminopentane-1,3-diol is CC[C@@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3R)-2-aminopentane-1,3-diol?
The InChIKey is PJBQQLVBENTUQY-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H13NO2/c1-2-5(8)4(6)3-7/h4-5,7-8H,2-3,6H2,1H3/t4-,5+/m0/s1.
What are the key properties of (2S,3R)-2-aminopentane-1,3-diol?
(2S,3R)-2-aminopentane-1,3-diol has a molecular weight of 119.16 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-aminopentane-1,3-diol is sourced from PubChem (CID 44561573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).