2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid

C12H22N2O3S — CID 64702104

IUPAC2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid
SMILESCSCC[C@H](N)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3S/c1-18-7-4-9(13)11(17)14-12(8-10(15)16)5-2-3-6-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyPCVHXASTXFIJFM-VIFPVBQESA-N
MW274.39 g/mol
LogP0.97
Rot. Bonds7

About 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid

2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid (PubChem CID 64702104) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid
PubChem CID64702104
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid
SMILESCSCC[C@H](N)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3S/c1-18-7-4-9(13)11(17)14-12(8-10(15)16)5-2-3-6-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyPCVHXASTXFIJFM-VIFPVBQESA-N
XLogP0.97
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
CID 64684113
2-[1-[(2-amino-4-methylsulfonylbutanoyl)amino]cyclohexyl]acetic acid
CID 64686099
1-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]cycloheptane-1-carboxylic acid
CID 104908015
2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
CID 79845445
(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide
CID 103833144
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
2-[1-[(2-amino-3-methylbutanoyl)amino]cyclopentyl]acetic acid
CID 64702283
2-[1-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclopentyl]acetic acid
CID 64701117
2-[1-(2-methylsulfanylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64701496
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide
CID 62520222
(2S)-2-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-methylsulfanylbutanamide
CID 119326675

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid (CID 64702104) is 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid is CSCC[C@H](N)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid?
The InChIKey is PCVHXASTXFIJFM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18-7-4-9(13)11(17)14-12(8-10(15)16)5-2-3-6-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)/t9-/m0/s1.
What are the key properties of 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid?
2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid has a molecular weight of 274.39 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).