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

C14H26N2O3 — CID 103463370

IUPAC2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCCC(C)(C)CNC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H26N2O3/c1-4-13(2,3)9-15-12(19)16-10-14(6-5-7-14)8-11(17)18/h4-10H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyQMWPEFLNMFLGCA-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds7

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

2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 103463370) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
PubChem CID103463370
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCCC(C)(C)CNC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C14H26N2O3/c1-4-13(2,3)9-15-12(19)16-10-14(6-5-7-14)8-11(17)18/h4-10H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyQMWPEFLNMFLGCA-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 106294972
2-[1-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclobutyl]acetic acid
CID 114105289
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 102699640
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
2-[1-[[(4-amino-4-methylpentanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81161804
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid (CID 103463370) is 2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid is CCC(C)(C)CNC(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is QMWPEFLNMFLGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-13(2,3)9-15-12(19)16-10-14(6-5-7-14)8-11(17)18/h4-10H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 103463370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).