2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid

C16H27NO3 — CID 63879965

IUPAC2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCC1CC1CN(C)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H27NO3/c1-12-8-13(12)11-17(2)14(18)9-16(10-15(19)20)6-4-3-5-7-16/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyRFQLXGYKXNTLJF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds6

About 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 63879965) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID63879965
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCC1CC1CN(C)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H27NO3/c1-12-8-13(12)11-17(2)14(18)9-16(10-15(19)20)6-4-3-5-7-16/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyRFQLXGYKXNTLJF-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid;hydrochloride
CID 16241568
2-[1-(2-Oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid
CID 2421900
2-[1-[2-[Cyclohexyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 4075760
3-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235594
2-[1-[2-(Diethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655384
2-[1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 60890411
2-[1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 61603555
3-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782992
3-[Propyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783508
3-[Methyl(3,3,3-trifluoropropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 65531244
2-[1-[2-[Methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65533448
cis-(1S,3R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 98549750

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 63879965) is 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid is CC1CC1CN(C)C(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is RFQLXGYKXNTLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-8-13(12)11-17(2)14(18)9-16(10-15(19)20)6-4-3-5-7-16/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 281.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 63879965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).