2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid

C16H29N3O5S — CID 122071742

IUPAC2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCC1CN(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)CC(C)O1
InChIInChI=1S/C16H29N3O5S/c1-11-7-19(8-12(2)24-11)25(22,23)17-14-5-15(6-14)18(10-16(20)21)9-13-3-4-13/h11-15,17H,3-10H2,1-2H3,(H,20,21)
InChIKeyFXBUGHOPGYRTLC-UHFFFAOYSA-N
MW375.49 g/mol
LogP0.26
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid (PubChem CID 122071742) has the molecular formula C16H29N3O5S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid
PubChem CID122071742
Molecular FormulaC16H29N3O5S
Molecular Weight375.49 g/mol
Exact Mass375.18
IUPAC Name2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCC1CN(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)CC(C)O1
InChIInChI=1S/C16H29N3O5S/c1-11-7-19(8-12(2)24-11)25(22,23)17-14-5-15(6-14)18(10-16(20)21)9-13-3-4-13/h11-15,17H,3-10H2,1-2H3,(H,20,21)
InChIKeyFXBUGHOPGYRTLC-UHFFFAOYSA-N
XLogP0.26
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071800
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2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
CID 122041392
2-[cyclopropylmethyl-[3-(4-fluorobutylsulfonylamino)cyclobutyl]amino]acetic acid
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2-[cyclopropylmethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122071918
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopropylmethyl-[3-[(2-methoxy-2-methylpropyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071999
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041865
2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid
CID 54945247
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 119967715
2-[cyclopropylmethyl-[3-[(4-propan-2-ylcyclohexyl)amino]cyclobutyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid (CID 122071742) is 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid is CC1CN(S(=O)(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)CC(C)O1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The InChIKey is FXBUGHOPGYRTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5S/c1-11-7-19(8-12(2)24-11)25(22,23)17-14-5-15(6-14)18(10-16(20)21)9-13-3-4-13/h11-15,17H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid has a molecular weight of 375.49 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122071742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).