(2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol

C8H17NO — CID 145277324

IUPAC(2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol
SMILESC=C(C)[C@H](CCC)C(N)O
InChIInChI=1S/C8H17NO/c1-4-5-7(6(2)3)8(9)10/h7-8,10H,2,4-5,9H2,1,3H3/t7-,8?/m0/s1
InChIKeyPJFQEAASXFFRCZ-JAMMHHFISA-N
MW143.23 g/mol
LogP1.26
Rot. Bonds4

About (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol

(2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol (PubChem CID 145277324) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol.

Molecular Properties

Compound Name(2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol
PubChem CID145277324
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol
SMILESC=C(C)[C@H](CCC)C(N)O
InChIInChI=1S/C8H17NO/c1-4-5-7(6(2)3)8(9)10/h7-8,10H,2,4-5,9H2,1,3H3/t7-,8?/m0/s1
InChIKeyPJFQEAASXFFRCZ-JAMMHHFISA-N
XLogP1.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol?
The IUPAC name of (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol (CID 145277324) is (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol.
What is the SMILES notation for (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol?
The canonical SMILES for (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol is C=C(C)[C@H](CCC)C(N)O.
What is the InChIKey of (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol?
The InChIKey is PJFQEAASXFFRCZ-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-7(6(2)3)8(9)10/h7-8,10H,2,4-5,9H2,1,3H3/t7-,8?/m0/s1.
What are the key properties of (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol?
(2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol is sourced from PubChem (CID 145277324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).