(2S)-2-amino-N-butyl-3-methylbutan(15N)amide

C9H20N2O — CID 158456312

IUPAC(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
SMILESCCCC[15NH]C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O/c1-4-5-6-11-9(12)8(10)7(2)3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1/i11+1
InChIKeyYILIABNPUAXNQY-VTZOERGVSA-N
MW173.27 g/mol
LogP0.89
Rot. Bonds5

About (2S)-2-amino-N-butyl-3-methylbutan(15N)amide

(2S)-2-amino-N-butyl-3-methylbutan(15N)amide (PubChem CID 158456312) has the molecular formula C9H20N2O and a molecular weight of 173.27 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-3-methylbutan(15N)amide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
PubChem CID158456312
Molecular FormulaC9H20N2O
Molecular Weight173.27 g/mol
Exact Mass173.15
IUPAC Name(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
SMILESCCCC[15NH]C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C9H20N2O/c1-4-5-6-11-9(12)8(10)7(2)3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1/i11+1
InChIKeyYILIABNPUAXNQY-VTZOERGVSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 50.89
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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Related Compounds

(2S)-2-amino-N-[2-(butylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962524
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005
2-amino-3-hydroxy-N-octylbutanamide
CID 90110768
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
N-butyl-2-silylpropanamide
CID 123860399
5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
CID 115867248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-3-methylbutan(15N)amide?
The IUPAC name of (2S)-2-amino-N-butyl-3-methylbutan(15N)amide (CID 158456312) is (2S)-2-amino-N-butyl-3-methylbutan(15N)amide.
What is the SMILES notation for (2S)-2-amino-N-butyl-3-methylbutan(15N)amide?
The canonical SMILES for (2S)-2-amino-N-butyl-3-methylbutan(15N)amide is CCCC[15NH]C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-butyl-3-methylbutan(15N)amide?
The InChIKey is YILIABNPUAXNQY-VTZOERGVSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-5-6-11-9(12)8(10)7(2)3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1/i11+1.
What are the key properties of (2S)-2-amino-N-butyl-3-methylbutan(15N)amide?
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide has a molecular weight of 173.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-3-methylbutan(15N)amide is sourced from PubChem (CID 158456312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).