1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

C12H20N2O5 — CID 115446609

IUPAC1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCOC(=O)CN(C)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H20N2O5/c1-3-19-9(15)7-14(2)11(18)13-8-12(10(16)17)5-4-6-12/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyCFEKSTHFISTANV-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.45
Rot. Bonds6

About 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446609) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446609
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCCOC(=O)CN(C)C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H20N2O5/c1-3-19-9(15)7-14(2)11(18)13-8-12(10(16)17)5-4-6-12/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyCFEKSTHFISTANV-UHFFFAOYSA-N
XLogP0.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 105918984
1-[[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 114128583
1-[[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446838
4,4-Dimethyl-2-[(morpholine-4-carbonylamino)methyl]pentanoic acid
CID 107473765
Ethane;2-[(1-ethoxycarbonylcyclobutanecarbonyl)amino]acetic acid;propylurea
CID 144870682
2-[(1-Ethoxycarbonylcyclobutanecarbonyl)amino]acetic acid;propylurea
CID 144870742
1-[(2-Methoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55165498
1-[(2-Ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55166847
2-(3-Ethoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 61190758
2-(2-Ethoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 61200894
2-[(2-Ethoxy-2-oxoethyl)carbamoylamino]-2-methylpentanoic acid
CID 61206573
2-[[(2-Ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 61535003

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115446609) is 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is CCOC(=O)CN(C)C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is CFEKSTHFISTANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-19-9(15)7-14(2)11(18)13-8-12(10(16)17)5-4-6-12/h3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).