5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid

C11H18N2O4 — CID 43533623

IUPAC5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)NC(=O)CCCC(=O)O)C1CC1
InChIInChI=1S/C11H18N2O4/c1-7(8-5-6-8)12-11(17)13-9(14)3-2-4-10(15)16/h7-8H,2-6H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyJTTZVGPABKNCFR-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.87
Rot. Bonds6

About 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid

5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 43533623) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID43533623
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)NC(=O)CCCC(=O)O)C1CC1
InChIInChI=1S/C11H18N2O4/c1-7(8-5-6-8)12-11(17)13-9(14)3-2-4-10(15)16/h7-8H,2-6H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyJTTZVGPABKNCFR-UHFFFAOYSA-N
XLogP0.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
6-(1-cyclopropylethylcarbamoylamino)hexanoic acid
CID 61197551
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
4-(1-cyclopropylethylcarbamoylamino)-4-methylpentanoic acid
CID 62047793
4-(1-cyclohexylethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76943271
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 113287624
N-(1-cyclopropylethyl)-4-(propan-2-ylamino)butanamide
CID 60849186
6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
CID 102906601

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid (CID 43533623) is 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid is CC(NC(=O)NC(=O)CCCC(=O)O)C1CC1.
What is the InChIKey of 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is JTTZVGPABKNCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(8-5-6-8)12-11(17)13-9(14)3-2-4-10(15)16/h7-8H,2-6H2,1H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid?
5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 43533623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).