(2S)-2-amino-N-(2-methylbutyl)propanamide

C8H18N2O — CID 59620908

IUPAC(2S)-2-amino-N-(2-methylbutyl)propanamide
SMILESCCC(C)CNC(=O)[C@H](C)N
InChIInChI=1S/C8H18N2O/c1-4-6(2)5-10-8(11)7(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyWOCFLCLDEJKGGH-MLWJPKLSSA-N
MW158.25 g/mol
LogP0.50
Rot. Bonds4

About (2S)-2-amino-N-(2-methylbutyl)propanamide

(2S)-2-amino-N-(2-methylbutyl)propanamide (PubChem CID 59620908) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methylbutyl)propanamide
PubChem CID59620908
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-amino-N-(2-methylbutyl)propanamide
SMILESCCC(C)CNC(=O)[C@H](C)N
InChIInChI=1S/C8H18N2O/c1-4-6(2)5-10-8(11)7(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyWOCFLCLDEJKGGH-MLWJPKLSSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 162915431
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-methylbutylurea
CID 22179633
(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
CID 104908379
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methylbutyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-methylbutyl)propanamide (CID 59620908) is (2S)-2-amino-N-(2-methylbutyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methylbutyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methylbutyl)propanamide is CCC(C)CNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(2-methylbutyl)propanamide?
The InChIKey is WOCFLCLDEJKGGH-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-6(2)5-10-8(11)7(3)9/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methylbutyl)propanamide?
(2S)-2-amino-N-(2-methylbutyl)propanamide has a molecular weight of 158.25 g/mol, XLogP of 0.50, 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-(2-methylbutyl)propanamide is sourced from PubChem (CID 59620908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).