2-amino-3-methyl-N-(2-methylpropyl)butanamide

C9H20N2O — CID 19602466

IUPAC2-amino-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(N)C(C)C
InChIInChI=1S/C9H20N2O/c1-6(2)5-11-9(12)8(10)7(3)4/h6-8H,5,10H2,1-4H3,(H,11,12)
InChIKeyGCNQFWALMAHDQL-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.74
Rot. Bonds4

About 2-amino-3-methyl-N-(2-methylpropyl)butanamide

2-amino-3-methyl-N-(2-methylpropyl)butanamide (PubChem CID 19602466) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-methylpropyl)butanamide
PubChem CID19602466
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-amino-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)C(N)C(C)C
InChIInChI=1S/C9H20N2O/c1-6(2)5-11-9(12)8(10)7(3)4/h6-8H,5,10H2,1-4H3,(H,11,12)
InChIKeyGCNQFWALMAHDQL-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022
(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide
CID 103950937
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
(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
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide
CID 79012762

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-methylpropyl)butanamide (CID 19602466) is 2-amino-3-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is GCNQFWALMAHDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6(2)5-11-9(12)8(10)7(3)4/h6-8H,5,10H2,1-4H3,(H,11,12).
What are the key properties of 2-amino-3-methyl-N-(2-methylpropyl)butanamide?
2-amino-3-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 172.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 19602466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).