(2S)-2-amino-N-hept-3-enylpentanamide

C12H24N2O — CID 123372780

IUPAC(2S)-2-amino-N-hept-3-enylpentanamide
SMILESCCCC=CCCNC(=O)[C@@H](N)CCC
InChIInChI=1S/C12H24N2O/c1-3-5-6-7-8-10-14-12(15)11(13)9-4-2/h6-7,11H,3-5,8-10,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyASJCBVKMAMRABA-NSHDSACASA-N
MW212.34 g/mol
LogP1.98
Rot. Bonds8

About (2S)-2-amino-N-hept-3-enylpentanamide

(2S)-2-amino-N-hept-3-enylpentanamide (PubChem CID 123372780) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-hept-3-enylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hept-3-enylpentanamide
PubChem CID123372780
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-hept-3-enylpentanamide
SMILESCCCC=CCCNC(=O)[C@@H](N)CCC
InChIInChI=1S/C12H24N2O/c1-3-5-6-7-8-10-14-12(15)11(13)9-4-2/h6-7,11H,3-5,8-10,13H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyASJCBVKMAMRABA-NSHDSACASA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hept-3-enylpentanamide?
The IUPAC name of (2S)-2-amino-N-hept-3-enylpentanamide (CID 123372780) is (2S)-2-amino-N-hept-3-enylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-hept-3-enylpentanamide?
The canonical SMILES for (2S)-2-amino-N-hept-3-enylpentanamide is CCCC=CCCNC(=O)[C@@H](N)CCC.
What is the InChIKey of (2S)-2-amino-N-hept-3-enylpentanamide?
The InChIKey is ASJCBVKMAMRABA-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-6-7-8-10-14-12(15)11(13)9-4-2/h6-7,11H,3-5,8-10,13H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-hept-3-enylpentanamide?
(2S)-2-amino-N-hept-3-enylpentanamide has a molecular weight of 212.34 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hept-3-enylpentanamide is sourced from PubChem (CID 123372780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).