5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid

C9H16N2O4 — CID 43263658

IUPAC5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(C)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-11(2)9(15)10-7(12)5-4-6-8(13)14/h3-6H2,1-2H3,(H,13,14)(H,10,12,15)
InChIKeyBYWZPBGLSLPXJY-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.43
Rot. Bonds5

About 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid

5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 43263658) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID43263658
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCN(C)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-11(2)9(15)10-7(12)5-4-6-8(13)14/h3-6H2,1-2H3,(H,13,14)(H,10,12,15)
InChIKeyBYWZPBGLSLPXJY-UHFFFAOYSA-N
XLogP0.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
CID 102994626
5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 63959613
5-(dibutylcarbamoylamino)-5-oxopentanoic acid
CID 28983456
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
6-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-6-oxohexanoic acid
CID 102994623
6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447310
5-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 55228085
4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43296183
2-chloro-N-[ethyl(methyl)carbamoyl]acetamide
CID 43243232
5-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61420483
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63700596
5-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61412281

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid (CID 43263658) is 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid is CCN(C)C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is BYWZPBGLSLPXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-3-11(2)9(15)10-7(12)5-4-6-8(13)14/h3-6H2,1-2H3,(H,13,14)(H,10,12,15).
What are the key properties of 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 216.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 43263658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).