5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid

C11H18N2O5 — CID 82740289

IUPAC5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(=O)CCCC(=O)O)C1CCOC1
InChIInChI=1S/C11H18N2O5/c1-13(8-5-6-18-7-8)11(17)12-9(14)3-2-4-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyKRTMBIWDHXMFFD-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.20
Rot. Bonds5

About 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid

5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 82740289) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID82740289
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCN(C(=O)NC(=O)CCCC(=O)O)C1CCOC1
InChIInChI=1S/C11H18N2O5/c1-13(8-5-6-18-7-8)11(17)12-9(14)3-2-4-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyKRTMBIWDHXMFFD-UHFFFAOYSA-N
XLogP0.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 82740104
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447313
5-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 43648968
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742753
5-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61435718
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566
3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
CID 82731745

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid (CID 82740289) is 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid is CN(C(=O)NC(=O)CCCC(=O)O)C1CCOC1.
What is the InChIKey of 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is KRTMBIWDHXMFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-13(8-5-6-18-7-8)11(17)12-9(14)3-2-4-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid?
5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 258.27 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 82740289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).