2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid

C16H26N2O3 — CID 81156613

IUPAC2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NCC(C2CC2)C2CC2)CCC1
InChIInChI=1S/C16H26N2O3/c19-14(20)8-16(6-1-7-16)10-18-15(21)17-9-13(11-2-3-11)12-4-5-12/h11-13H,1-10H2,(H,19,20)(H2,17,18,21)
InChIKeyFKNGRUSCQPWYQI-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.37
Rot. Bonds8

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

2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81156613) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
PubChem CID81156613
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NCC(C2CC2)C2CC2)CCC1
InChIInChI=1S/C16H26N2O3/c19-14(20)8-16(6-1-7-16)10-18-15(21)17-9-13(11-2-3-11)12-4-5-12/h11-13H,1-10H2,(H,19,20)(H2,17,18,21)
InChIKeyFKNGRUSCQPWYQI-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 102699640
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162871
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81163436
2-[1-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163012
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 106294972
2-[1-[(thian-2-ylmethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81166798
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid (CID 81156613) is 2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)NCC(C2CC2)C2CC2)CCC1.
What is the InChIKey of 2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is FKNGRUSCQPWYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14(20)8-16(6-1-7-16)10-18-15(21)17-9-13(11-2-3-11)12-4-5-12/h11-13H,1-10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 294.39 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81156613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).