(2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide

C17H33N3O2S — CID 154409288

IUPAC(2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide
SMILESCSCC[C@H](N)C(=O)N[C@H](C)C(=O)NC1(C)CCC(C)C1(C)C
InChIInChI=1S/C17H33N3O2S/c1-11-7-9-17(5,16(11,3)4)20-14(21)12(2)19-15(22)13(18)8-10-23-6/h11-13H,7-10,18H2,1-6H3,(H,19,22)(H,20,21)/t11?,12-,13+,17?/m1/s1
InChIKeyHZQICOWWOIVVGP-HASVCBABSA-N
MW343.54 g/mol
LogP1.90
Rot. Bonds7

About (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide

(2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide (PubChem CID 154409288) has the molecular formula C17H33N3O2S and a molecular weight of 343.54 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide
PubChem CID154409288
Molecular FormulaC17H33N3O2S
Molecular Weight343.54 g/mol
Exact Mass343.23
IUPAC Name(2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide
SMILESCSCC[C@H](N)C(=O)N[C@H](C)C(=O)NC1(C)CCC(C)C1(C)C
InChIInChI=1S/C17H33N3O2S/c1-11-7-9-17(5,16(11,3)4)20-14(21)12(2)19-15(22)13(18)8-10-23-6/h11-13H,7-10,18H2,1-6H3,(H,19,22)(H,20,21)/t11?,12-,13+,17?/m1/s1
InChIKeyHZQICOWWOIVVGP-HASVCBABSA-N
XLogP1.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81393379
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
[(1R)-1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]ethyl]boronic acid
CID 74765781
2-[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]-N,N,1,2-tetramethylcyclopentane-1-carboxamide
CID 18653122
2-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]propanoylamino]-3-hydroxypropanoic acid
CID 5070257
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
CID 104908942
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide (CID 154409288) is (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide is CSCC[C@H](N)C(=O)N[C@H](C)C(=O)NC1(C)CCC(C)C1(C)C.
What is the InChIKey of (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide?
The InChIKey is HZQICOWWOIVVGP-HASVCBABSA-N. The full InChI is InChI=1S/C17H33N3O2S/c1-11-7-9-17(5,16(11,3)4)20-14(21)12(2)19-15(22)13(18)8-10-23-6/h11-13H,7-10,18H2,1-6H3,(H,19,22)(H,20,21)/t11?,12-,13+,17?/m1/s1.
What are the key properties of (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide?
(2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide has a molecular weight of 343.54 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanyl-N-[(2R)-1-oxo-1-[(1,2,2,3-tetramethylcyclopentyl)amino]propan-2-yl]butanamide is sourced from PubChem (CID 154409288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).