2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid

C15H28N2O3 — CID 64701263

IUPAC2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
SMILESCCC(NC(=O)NC1(CC(=O)O)CCCCC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-4-12(11(2)3)16-14(20)17-15(10-13(18)19)8-6-5-7-9-15/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyALOJFMMAVDHLNK-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.90
Rot. Bonds6

About 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid

2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid (PubChem CID 64701263) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
PubChem CID64701263
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
SMILESCCC(NC(=O)NC1(CC(=O)O)CCCCC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-4-12(11(2)3)16-14(20)17-15(10-13(18)19)8-6-5-7-9-15/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyALOJFMMAVDHLNK-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-(pent-1-yn-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 114161541
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
CID 64701906
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
2-[1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851533
2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
CID 64684113

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid (CID 64701263) is 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid is CCC(NC(=O)NC1(CC(=O)O)CCCCC1)C(C)C.
What is the InChIKey of 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid?
The InChIKey is ALOJFMMAVDHLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-12(11(2)3)16-14(20)17-15(10-13(18)19)8-6-5-7-9-15/h11-12H,4-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid?
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid has a molecular weight of 284.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64701263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).