2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid

C18H32N2O2 — CID 122041865

IUPAC2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
SMILESCC1(C)CCC(NC2CC(N(CC(=O)O)CC3CC3)C2)CC1
InChIInChI=1S/C18H32N2O2/c1-18(2)7-5-14(6-8-18)19-15-9-16(10-15)20(12-17(21)22)11-13-3-4-13/h13-16,19H,3-12H2,1-2H3,(H,21,22)
InChIKeyZLBXHKUFIKOASJ-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.87
Rot. Bonds7

About 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122041865) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
PubChem CID122041865
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
SMILESCC1(C)CCC(NC2CC(N(CC(=O)O)CC3CC3)C2)CC1
InChIInChI=1S/C18H32N2O2/c1-18(2)7-5-14(6-8-18)19-15-9-16(10-15)20(12-17(21)22)11-13-3-4-13/h13-16,19H,3-12H2,1-2H3,(H,21,22)
InChIKeyZLBXHKUFIKOASJ-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[3-[(4-propan-2-ylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041857
2-[cyclopropylmethyl-[3-[(2-ethylcyclobutyl)amino]cyclobutyl]amino]acetic acid
CID 122041478
2-[cyclopropylmethyl-[3-(thian-3-ylamino)cyclobutyl]amino]acetic acid
CID 122041864
2-[cyclopropylmethyl-[3-(oxan-3-ylamino)cyclobutyl]amino]acetic acid
CID 122041866
2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
CID 122041392
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
CID 103961392
2-[ethyl-[3-[(4-methyl-4-phenylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122042745
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603
2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid
CID 65054464

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid (CID 122041865) is 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid is CC1(C)CCC(NC2CC(N(CC(=O)O)CC3CC3)C2)CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is ZLBXHKUFIKOASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-18(2)7-5-14(6-8-18)19-15-9-16(10-15)20(12-17(21)22)11-13-3-4-13/h13-16,19H,3-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 308.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).