(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide

C12H23N3O2S — CID 61164338

IUPAC(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C12H23N3O2S/c1-18-7-6-10(13)12(17)15(8-11(14)16)9-4-2-3-5-9/h9-10H,2-8,13H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyVTUOOXUHOYVTPK-JTQLQIEISA-N
MW273.40 g/mol
LogP0.32
Rot. Bonds7

About (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide (PubChem CID 61164338) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide
PubChem CID61164338
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C12H23N3O2S/c1-18-7-6-10(13)12(17)15(8-11(14)16)9-4-2-3-5-9/h9-10H,2-8,13H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyVTUOOXUHOYVTPK-JTQLQIEISA-N
XLogP0.32
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide
CID 104906791
(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
CID 61154669
2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methoxybutanamide
CID 62474480
(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 104907782
(2R)-2-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylsulfanylbutanamide
CID 104907713
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-methoxypropanamide
CID 47418493
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methylsulfanylbutanamide
CID 104907675
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide
CID 104906812
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
cyclohexyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 54480153
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
cyclohexyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide (CID 61164338) is (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide?
The InChIKey is VTUOOXUHOYVTPK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-18-7-6-10(13)12(17)15(8-11(14)16)9-4-2-3-5-9/h9-10H,2-8,13H2,1H3,(H2,14,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide has a molecular weight of 273.40 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 61164338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).