(2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide

C12H24N2O — CID 63865558

IUPAC(2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)CC1CC1C
InChIInChI=1S/C12H24N2O/c1-5-8(2)11(13)12(15)14(4)7-10-6-9(10)3/h8-11H,5-7,13H2,1-4H3/t8?,9?,10?,11-/m0/s1
InChIKeyMYSBLFFQFPJRTE-QUBJWBRDSA-N
MW212.34 g/mol
LogP1.47
Rot. Bonds5

About (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide

(2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide (PubChem CID 63865558) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide
PubChem CID63865558
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)CC1CC1C
InChIInChI=1S/C12H24N2O/c1-5-8(2)11(13)12(15)14(4)7-10-6-9(10)3/h8-11H,5-7,13H2,1-4H3/t8?,9?,10?,11-/m0/s1
InChIKeyMYSBLFFQFPJRTE-QUBJWBRDSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(cyclobutylmethyl)-N,3-dimethylpentanamide
CID 62862218
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63864984
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 115738399
2-amino-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pentanamide
CID 119855609
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 61173174
N-methyl-N-[(2-methylcyclopropyl)methyl]acetamide
CID 64592009
(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
CID 61174046
3,3-dimethyl-2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]butanoic acid
CID 116537193
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858979
2-amino-N-(1,2-dimethylpiperidin-4-yl)-N,3-dimethylpentanamide
CID 119893712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide (CID 63865558) is (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide is CCC(C)[C@H](N)C(=O)N(C)CC1CC1C.
What is the InChIKey of (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide?
The InChIKey is MYSBLFFQFPJRTE-QUBJWBRDSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-8(2)11(13)12(15)14(4)7-10-6-9(10)3/h8-11H,5-7,13H2,1-4H3/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide?
(2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide has a molecular weight of 212.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 63865558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).