1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

C10H16N2O5 — CID 115451070

IUPAC1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H16N2O5/c1-12(5-7(13)17-2)9(16)11-6-10(3-4-10)8(14)15/h3-6H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyRGPBEMOLIKWGOA-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.33
Rot. Bonds5

About 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451070) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451070
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H16N2O5/c1-12(5-7(13)17-2)9(16)11-6-10(3-4-10)8(14)15/h3-6H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyRGPBEMOLIKWGOA-UHFFFAOYSA-N
XLogP-0.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(2-Methoxy-2-oxoethyl)amino]carbonyl]methylamino]butanoic acid
CID 43151950
1-[[(2-Methoxy-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397447
1-[[(3-Methoxy-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397466
(2S)-2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54946293
2-[[Cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 54946596
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 54946696
2-[[1-Methoxypropan-2-yl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54946842
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54947989
2-[[Ethyl(2-methoxyethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54948553
2-[(1-Methoxy-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 54960170
3-[Cyclopropyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]propanoic acid
CID 54960268
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 54960423

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115451070) is 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is COC(=O)CN(C)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is RGPBEMOLIKWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-12(5-7(13)17-2)9(16)11-6-10(3-4-10)8(14)15/h3-6H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).