3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid

C13H22N2O4 — CID 114189004

IUPAC3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NC(CC1CC1)C(=O)O)C1CCOC1
InChIInChI=1S/C13H22N2O4/c1-8(10-4-5-19-7-10)14-13(18)15-11(12(16)17)6-9-2-3-9/h8-11H,2-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyKEORPGGPDKCCGL-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.96
Rot. Bonds6

About 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid

3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 114189004) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid
PubChem CID114189004
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NC(CC1CC1)C(=O)O)C1CCOC1
InChIInChI=1S/C13H22N2O4/c1-8(10-4-5-19-7-10)14-13(18)15-11(12(16)17)6-9-2-3-9/h8-11H,2-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyKEORPGGPDKCCGL-UHFFFAOYSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 107829262
(2S)-5-methoxy-5-oxo-2-[1-(oxolan-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107829261
1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
CID 124856109
2-[1-(oxan-4-yl)ethylcarbamoylamino]pent-4-ynoic acid
CID 114115293
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]urea
CID 99698082
1-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 113364085
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid (CID 114189004) is 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NC(CC1CC1)C(=O)O)C1CCOC1.
What is the InChIKey of 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is KEORPGGPDKCCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(10-4-5-19-7-10)14-13(18)15-11(12(16)17)6-9-2-3-9/h8-11H,2-7H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid?
3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 114189004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).