(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide

C12H26N2O — CID 102905937

IUPAC(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC[C@@H](N)C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-11(13)12(15)14-7-10(8(2)3)9(4)5/h8-11H,6-7,13H2,1-5H3,(H,14,15)/t11-/m1/s1
InChIKeyXGVQXAWCKBSBDG-LLVKDONJSA-N
MW214.35 g/mol
LogP1.77
Rot. Bonds6

About (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide

(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide (PubChem CID 102905937) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
PubChem CID102905937
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC[C@@H](N)C(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-11(13)12(15)14-7-10(8(2)3)9(4)5/h8-11H,6-7,13H2,1-5H3,(H,14,15)/t11-/m1/s1
InChIKeyXGVQXAWCKBSBDG-LLVKDONJSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
CID 104861437
(2S)-2-amino-N-(2-cyanopropyl)butanamide
CID 79023306
2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904758
2-[(2-aminobutanoylamino)methyl]butanoic acid
CID 65224441
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride
CID 119842280
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
4-(2-aminobutanoylamino)-3-methoxybutanoic acid
CID 103157192
2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102906212
4-(2-aminobutanoylamino)-2-methylbutanoic acid
CID 80539879

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The IUPAC name of (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide (CID 102905937) is (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide is CC[C@@H](N)C(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The InChIKey is XGVQXAWCKBSBDG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-11(13)12(15)14-7-10(8(2)3)9(4)5/h8-11H,6-7,13H2,1-5H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide has a molecular weight of 214.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide is sourced from PubChem (CID 102905937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).