(2S)-2-amino-N-butylpropanamide

C7H16N2O — CID 22690439

IUPAC(2S)-2-amino-N-butylpropanamide
SMILESCCCCNC(=O)[C@H](C)N
InChIInChI=1S/C7H16N2O/c1-3-4-5-9-7(10)6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyXXYQJGUBGFEJMV-LURJTMIESA-N
MW144.22 g/mol
LogP0.25
Rot. Bonds4

About (2S)-2-amino-N-butylpropanamide

(2S)-2-amino-N-butylpropanamide (PubChem CID 22690439) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (2S)-2-amino-N-butylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butylpropanamide
PubChem CID22690439
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(2S)-2-amino-N-butylpropanamide
SMILESCCCCNC(=O)[C@H](C)N
InChIInChI=1S/C7H16N2O/c1-3-4-5-9-7(10)6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyXXYQJGUBGFEJMV-LURJTMIESA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butylpropanamide?
The IUPAC name of (2S)-2-amino-N-butylpropanamide (CID 22690439) is (2S)-2-amino-N-butylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-butylpropanamide?
The canonical SMILES for (2S)-2-amino-N-butylpropanamide is CCCCNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-butylpropanamide?
The InChIKey is XXYQJGUBGFEJMV-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-4-5-9-7(10)6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-butylpropanamide?
(2S)-2-amino-N-butylpropanamide has a molecular weight of 144.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butylpropanamide is sourced from PubChem (CID 22690439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).