2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid

C16H29N3O4S — CID 122071800

IUPAC2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCC1CCCCN1S(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C16H29N3O4S/c1-12-4-2-3-7-19(12)24(22,23)17-14-8-15(9-14)18(11-16(20)21)10-13-5-6-13/h12-15,17H,2-11H2,1H3,(H,20,21)
InChIKeyXXQCCDTUEUWQHQ-UHFFFAOYSA-N
MW359.49 g/mol
LogP1.02
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid (PubChem CID 122071800) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid
PubChem CID122071800
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC Name2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid
SMILESCC1CCCCN1S(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C16H29N3O4S/c1-12-4-2-3-7-19(12)24(22,23)17-14-8-15(9-14)18(11-16(20)21)10-13-5-6-13/h12-15,17H,2-11H2,1H3,(H,20,21)
InChIKeyXXQCCDTUEUWQHQ-UHFFFAOYSA-N
XLogP1.02
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122071742
2-[cyclopropylmethyl-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]cyclobutyl]amino]acetic acid
CID 122071838
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpiperidine-1-sulfonamide
CID 61230456
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-[(1-methylpiperidine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 128973904
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-fluorobutylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122072023
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid (CID 122071800) is 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid is CC1CCCCN1S(=O)(=O)NC1CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
The InChIKey is XXQCCDTUEUWQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S/c1-12-4-2-3-7-19(12)24(22,23)17-14-8-15(9-14)18(11-16(20)21)10-13-5-6-13/h12-15,17H,2-11H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid has a molecular weight of 359.49 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(2-methylpiperidin-1-yl)sulfonylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122071800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).