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

C10H18N2O3 — CID 81164855

IUPAC2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCN(C)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C10H18N2O3/c1-12(2)9(15)11-7-10(4-3-5-10)6-8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyLQSZSRUMWMECNX-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.90
Rot. Bonds4

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

2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81164855) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
PubChem CID81164855
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCN(C)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C10H18N2O3/c1-12(2)9(15)11-7-10(4-3-5-10)6-8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyLQSZSRUMWMECNX-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163219
3-[(1-ethylcyclopentyl)methyl]-1,1-dimethylurea
CID 103764918
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
2-[1-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163012
2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81156346
2-[1-[[[cyclopentyl(ethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163144
2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81162549
2-[1-[[[methyl(2-methylsulfanylethyl)carbamoyl]amino]methyl]cyclohexyl]acetic acid
CID 115986459
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163231
2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 107737252
2-[1-[[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81156334

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid (CID 81164855) is 2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid is CN(C)C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is LQSZSRUMWMECNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-12(2)9(15)11-7-10(4-3-5-10)6-8(13)14/h3-7H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).