(2S,3R)-3-aminopent-4-en-2-ol

C5H11NO — CID 131375579

IUPAC(2S,3R)-3-aminopent-4-en-2-ol
SMILESC=C[C@@H](N)[C@H](C)O
InChIInChI=1S/C5H11NO/c1-3-5(6)4(2)7/h3-5,7H,1,6H2,2H3/t4-,5+/m0/s1
InChIKeyWPFWJXLNRUMBPV-CRCLSJGQSA-N
MW101.15 g/mol
LogP-0.12
Rot. Bonds2

About (2S,3R)-3-aminopent-4-en-2-ol

(2S,3R)-3-aminopent-4-en-2-ol (PubChem CID 131375579) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (2S,3R)-3-aminopent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-aminopent-4-en-2-ol
PubChem CID131375579
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(2S,3R)-3-aminopent-4-en-2-ol
SMILESC=C[C@@H](N)[C@H](C)O
InChIInChI=1S/C5H11NO/c1-3-5(6)4(2)7/h3-5,7H,1,6H2,2H3/t4-,5+/m0/s1
InChIKeyWPFWJXLNRUMBPV-CRCLSJGQSA-N
XLogP-0.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-but-3-en-2-amine
CID 10034575
buta-1,3-diene;butane-2,3-diol;but-3-en-2-ol
CID 157123316
(2S)-3-aminobutan-2-ol
CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine
CID 100988529
amino-ethenyl-di(propan-2-yl)phosphanium
CID 139466697
4-cyclopropylpent-1-en-3-amine
CID 105000971
(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
(2R,3R,4S,5S)-3,5-dimethylhept-6-ene-2,4-diol
CID 100972297
methanamine;3-methylbut-1-ene
CID 161011072
(2R,3R)-3-aminobutan-2-ol;hydron
CID 173377832

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-aminopent-4-en-2-ol?
The IUPAC name of (2S,3R)-3-aminopent-4-en-2-ol (CID 131375579) is (2S,3R)-3-aminopent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-3-aminopent-4-en-2-ol?
The canonical SMILES for (2S,3R)-3-aminopent-4-en-2-ol is C=C[C@@H](N)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-aminopent-4-en-2-ol?
The InChIKey is WPFWJXLNRUMBPV-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(6)4(2)7/h3-5,7H,1,6H2,2H3/t4-,5+/m0/s1.
What are the key properties of (2S,3R)-3-aminopent-4-en-2-ol?
(2S,3R)-3-aminopent-4-en-2-ol has a molecular weight of 101.15 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-aminopent-4-en-2-ol is sourced from PubChem (CID 131375579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).