(2S)-1,2-diaminopentan-3-ol

C5H14N2O — CID 129142351

IUPAC(2S)-1,2-diaminopentan-3-ol
SMILESCCC(O)[C@@H](N)CN
InChIInChI=1S/C5H14N2O/c1-2-5(8)4(7)3-6/h4-5,8H,2-3,6-7H2,1H3/t4-,5?/m0/s1
InChIKeyOKKFMMLNNQXOQW-ROLXFIACSA-N
MW118.18 g/mol
LogP-0.96
Rot. Bonds3

About (2S)-1,2-diaminopentan-3-ol

(2S)-1,2-diaminopentan-3-ol (PubChem CID 129142351) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is (2S)-1,2-diaminopentan-3-ol.

Molecular Properties

Compound Name(2S)-1,2-diaminopentan-3-ol
PubChem CID129142351
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name(2S)-1,2-diaminopentan-3-ol
SMILESCCC(O)[C@@H](N)CN
InChIInChI=1S/C5H14N2O/c1-2-5(8)4(7)3-6/h4-5,8H,2-3,6-7H2,1H3/t4-,5?/m0/s1
InChIKeyOKKFMMLNNQXOQW-ROLXFIACSA-N
XLogP-0.96
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diaminohexane-3,4-diol
CID 57132033
(3R,4S)-4-aminohexan-3-ol
CID 640991
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
(4S)-1,4-diaminohexan-3-ol
CID 149307886
(2R,3S,4R)-2-aminohexane-1,3,4-triol
CID 89364894
1,2-diaminopentane-1,3-diol
CID 57066183
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
4-amino-6-methylheptan-3-ol;carbonic acid
CID 88724279
(2R)-2-aminobutane-1,1-diol
CID 148517870
3-amino-1-fluoropentan-2-ol
CID 10772967
1,3,4,5,6-pentaaminohexan-2-ol
CID 57100316
3-aminohexane-2,4-diol
CID 144515569

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-diaminopentan-3-ol?
The IUPAC name of (2S)-1,2-diaminopentan-3-ol (CID 129142351) is (2S)-1,2-diaminopentan-3-ol.
What is the SMILES notation for (2S)-1,2-diaminopentan-3-ol?
The canonical SMILES for (2S)-1,2-diaminopentan-3-ol is CCC(O)[C@@H](N)CN.
What is the InChIKey of (2S)-1,2-diaminopentan-3-ol?
The InChIKey is OKKFMMLNNQXOQW-ROLXFIACSA-N. The full InChI is InChI=1S/C5H14N2O/c1-2-5(8)4(7)3-6/h4-5,8H,2-3,6-7H2,1H3/t4-,5?/m0/s1.
What are the key properties of (2S)-1,2-diaminopentan-3-ol?
(2S)-1,2-diaminopentan-3-ol has a molecular weight of 118.18 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-diaminopentan-3-ol is sourced from PubChem (CID 129142351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).