(2S)-2-amino-N-butyl(113C)propanamide

C7H16N2O — CID 157365112

IUPAC(2S)-2-amino-N-butyl(113C)propanamide
SMILESCCCCN[13C](=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/i7+1
InChIKeyXXYQJGUBGFEJMV-MHLRSXGLSA-N
MW145.21 g/mol
LogP0.25
Rot. Bonds4

About (2S)-2-amino-N-butyl(113C)propanamide

(2S)-2-amino-N-butyl(113C)propanamide (PubChem CID 157365112) has the molecular formula C7H16N2O and a molecular weight of 145.21 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl(113C)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl(113C)propanamide
PubChem CID157365112
Molecular FormulaC7H16N2O
Molecular Weight145.21 g/mol
Exact Mass145.13
IUPAC Name(2S)-2-amino-N-butyl(113C)propanamide
SMILESCCCCN[13C](=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/i7+1
InChIKeyXXYQJGUBGFEJMV-MHLRSXGLSA-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 ≤ 500145.21
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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Related Compounds

(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
2-amino-N-propylpropanamide;ethane
CID 142837247
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
(2R)-2-amino-N-butylpentanamide
CID 82668431
N-butyl-2-silylpropanamide
CID 123860399
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568
2-amino-N-(3-cyanopropyl)propanamide
CID 62666254
(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride
CID 119292329
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl(113C)propanamide?
The IUPAC name of (2S)-2-amino-N-butyl(113C)propanamide (CID 157365112) is (2S)-2-amino-N-butyl(113C)propanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl(113C)propanamide?
The canonical SMILES for (2S)-2-amino-N-butyl(113C)propanamide is CCCCN[13C](=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-butyl(113C)propanamide?
The InChIKey is XXYQJGUBGFEJMV-MHLRSXGLSA-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/i7+1.
What are the key properties of (2S)-2-amino-N-butyl(113C)propanamide?
(2S)-2-amino-N-butyl(113C)propanamide has a molecular weight of 145.21 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-butyl(113C)propanamide is sourced from PubChem (CID 157365112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).