2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid

C14H24N2O3 — CID 81164862

IUPAC2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NC2CCCCC2)CCC1
InChIInChI=1S/C14H24N2O3/c17-12(18)9-14(7-4-8-14)10-15-13(19)16-11-5-2-1-3-6-11/h11H,1-10H2,(H,17,18)(H2,15,16,19)
InChIKeyMBUVEOZMEBFCOX-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.26
Rot. Bonds5

About 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid

2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81164862) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
PubChem CID81164862
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NC2CCCCC2)CCC1
InChIInChI=1S/C14H24N2O3/c17-12(18)9-14(7-4-8-14)10-15-13(19)16-11-5-2-1-3-6-11/h11H,1-10H2,(H,17,18)(H2,15,16,19)
InChIKeyMBUVEOZMEBFCOX-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162871
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 83034492
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162990
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
CID 115267566
2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81163436
1-cyclopentyl-3-[(1-cyclopropylcyclopropyl)methyl]urea
CID 103839051
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid (CID 81164862) is 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)NC2CCCCC2)CCC1.
What is the InChIKey of 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is MBUVEOZMEBFCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-12(18)9-14(7-4-8-14)10-15-13(19)16-11-5-2-1-3-6-11/h11H,1-10H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).