2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid

C17H28N2O4S — CID 119242524

IUPAC2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C17H28N2O4S/c20-15(21)11-24-10-9-18-16(22)13-5-7-14(8-6-13)19-17(23)12-3-1-2-4-12/h12-14H,1-11H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyZJYMVBRBLZLCFA-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.79
Rot. Bonds8

About 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid

2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid (PubChem CID 119242524) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid
PubChem CID119242524
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C17H28N2O4S/c20-15(21)11-24-10-9-18-16(22)13-5-7-14(8-6-13)19-17(23)12-3-1-2-4-12/h12-14H,1-11H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyZJYMVBRBLZLCFA-UHFFFAOYSA-N
XLogP1.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid with MolForge

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Related Compounds

2-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]ethylsulfanyl]acetic acid
CID 120526444
6-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]hexanoic acid
CID 119220217
4-(cyclopentanecarbonylamino)-N-[2-(ethylamino)ethyl]cyclohexane-1-carboxamide
CID 119508167
2-[2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241575
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopentanecarboxamide
CID 103767331
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
2-[2-[(1-butanoylpiperidine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242681
4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid
CID 119168864
N-(2-cyclopentylsulfanylethyl)cyclopropanecarboxamide
CID 94101555

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid (CID 119242524) is 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid is O=C(O)CSCCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid?
The InChIKey is ZJYMVBRBLZLCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c20-15(21)11-24-10-9-18-16(22)13-5-7-14(8-6-13)19-17(23)12-3-1-2-4-12/h12-14H,1-11H2,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid?
2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid has a molecular weight of 356.49 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethylsulfanyl]acetic acid is sourced from PubChem (CID 119242524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).