2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide

C18H33N3O3S — CID 18653122

IUPAC2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide
SMILESCSCC[C@H](N)C(=O)N[C@H](C)C(=O)C1(C)CCCC1(C)C(=O)N(C)C
InChIInChI=1S/C18H33N3O3S/c1-12(20-15(23)13(19)8-11-25-6)14(22)17(2)9-7-10-18(17,3)16(24)21(4)5/h12-13H,7-11,19H2,1-6H3,(H,20,23)/t12-,13+,17?,18?/m1/s1
InChIKeyBWJRVSNRTOVZAA-AVCVVPASSA-N
MW371.55 g/mol
LogP1.43
Rot. Bonds8

About 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide

2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide (PubChem CID 18653122) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide
PubChem CID18653122
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC Name2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide
SMILESCSCC[C@H](N)C(=O)N[C@H](C)C(=O)C1(C)CCCC1(C)C(=O)N(C)C
InChIInChI=1S/C18H33N3O3S/c1-12(20-15(23)13(19)8-11-25-6)14(22)17(2)9-7-10-18(17,3)16(24)21(4)5/h12-13H,7-11,19H2,1-6H3,(H,20,23)/t12-,13+,17?,18?/m1/s1
InChIKeyBWJRVSNRTOVZAA-AVCVVPASSA-N
XLogP1.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide with MolForge

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Related Compounds

(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
CID 104908942
(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide
CID 103833144
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81393379
(2R)-2-amino-4-methylsulfanyl-N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 89085990
(2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide
CID 154409288
(2S)-2-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-methylsulfanylbutanamide
CID 119326675
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103832925
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
[(1R)-1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]boronic acid
CID 74765781

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide?
The IUPAC name of 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide (CID 18653122) is 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide?
The canonical SMILES for 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide is CSCC[C@H](N)C(=O)N[C@H](C)C(=O)C1(C)CCCC1(C)C(=O)N(C)C.
What is the InChIKey of 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide?
The InChIKey is BWJRVSNRTOVZAA-AVCVVPASSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-12(20-15(23)13(19)8-11-25-6)14(22)17(2)9-7-10-18(17,3)16(24)21(4)5/h12-13H,7-11,19H2,1-6H3,(H,20,23)/t12-,13+,17?,18?/m1/s1.
What are the key properties of 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide?
2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide is sourced from PubChem (CID 18653122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).