2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid

C13H24N2O3S — CID 64701500

IUPAC2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid
SMILESCSCC(C)CNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3S/c1-10(9-19-2)8-14-12(18)15-13(7-11(16)17)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZBJYRKBUKJWVOA-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.07
Rot. Bonds7

About 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid

2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid (PubChem CID 64701500) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid
PubChem CID64701500
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid
SMILESCSCC(C)CNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3S/c1-10(9-19-2)8-14-12(18)15-13(7-11(16)17)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZBJYRKBUKJWVOA-UHFFFAOYSA-N
XLogP2.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(Trifluoromethylsulfanyl)ethylcarbamoylamino]cyclopentyl]acetic acid
CID 106431507
2-[1-[2-(Trifluoromethylsulfanyl)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106431679
5-[(2S,3S,4S)-3,4-dimethyl-3-(methylcarbamoylamino)thiolan-2-yl]pentanoic acid
CID 71212541
(6S)-7-(carbamoylamino)-6-[(2S)-2-methylbutyl]sulfanylheptanoic acid
CID 89390652
3-(3-Methylsulfanylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63957299
1-[(2-Methyl-3-methylsulfanylpropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 63957308
1-[(2-Methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 63957532
3-(2-Methylsulfanylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63957698
1-(3-Methylsulfanylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63957723
7-[(2-Methyl-3-methylsulfanylpropyl)carbamoylamino]heptanoic acid
CID 63957732
1-(2-Methylsulfanylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63957917
3-[(2-Methyl-3-methylsulfanylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63957954

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid (CID 64701500) is 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid is CSCC(C)CNC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid?
The InChIKey is ZBJYRKBUKJWVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(9-19-2)8-14-12(18)15-13(7-11(16)17)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid?
2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid has a molecular weight of 288.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64701500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).