2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid

C16H30N4O5S — CID 122013452

IUPAC2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC2CCCC2CNS(C)(=O)=O)C1
InChIInChI=1S/C16H30N4O5S/c1-3-20(10-15(21)22)13-7-12(8-13)18-16(23)19-14-6-4-5-11(14)9-17-26(2,24)25/h11-14,17H,3-10H2,1-2H3,(H,21,22)(H2,18,19,23)
InChIKeySKZHITGVNGFACI-UHFFFAOYSA-N
MW390.51 g/mol
LogP-0.06
Rot. Bonds9

About 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122013452) has the molecular formula C16H30N4O5S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122013452
Molecular FormulaC16H30N4O5S
Molecular Weight390.51 g/mol
Exact Mass390.19
IUPAC Name2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC2CCCC2CNS(C)(=O)=O)C1
InChIInChI=1S/C16H30N4O5S/c1-3-20(10-15(21)22)13-7-12(8-13)18-16(23)19-14-6-4-5-11(14)9-17-26(2,24)25/h11-14,17H,3-10H2,1-2H3,(H,21,22)(H2,18,19,23)
InChIKeySKZHITGVNGFACI-UHFFFAOYSA-N
XLogP-0.06
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[[3-[(2-butylcyclopentyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122000564
2-[[3-[(2,3-dimethylcyclohexyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122012717
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847
2-[ethyl-[3-[(1-methylcyclopropyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122005006
2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070345
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[ethyl-[3-(thian-4-ylmethylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002068
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
2-[ethyl-[3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122016603
2-[[3-[(2,2-dimethylcyclopropyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122001969
2-[[3-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007740
2-[ethyl-[3-[[(2S)-1-propylpyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122014146

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid (CID 122013452) is 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)NC2CCCC2CNS(C)(=O)=O)C1.
What is the InChIKey of 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is SKZHITGVNGFACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O5S/c1-3-20(10-15(21)22)13-7-12(8-13)18-16(23)19-14-6-4-5-11(14)9-17-26(2,24)25/h11-14,17H,3-10H2,1-2H3,(H,21,22)(H2,18,19,23).
What are the key properties of 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 390.51 g/mol, XLogP of -0.06, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[2-(methanesulfonamidomethyl)cyclopentyl]carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122013452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).