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

C13H21NO4 — CID 81362728

IUPAC3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
SMILESO=C(O)CC(NC(=O)CCC1CCCO1)C1CC1
InChIInChI=1S/C13H21NO4/c15-12(6-5-10-2-1-7-18-10)14-11(8-13(16)17)9-3-4-9/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyWURJXCFKQDFINC-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.32
Rot. Bonds7

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

3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid (PubChem CID 81362728) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
PubChem CID81362728
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
SMILESO=C(O)CC(NC(=O)CCC1CCCO1)C1CC1
InChIInChI=1S/C13H21NO4/c15-12(6-5-10-2-1-7-18-10)14-11(8-13(16)17)9-3-4-9/h9-11H,1-8H2,(H,14,15)(H,16,17)
InChIKeyWURJXCFKQDFINC-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 65312487
(2S)-4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 55230932
4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 43357092
N-(1-bromo-4-methylpentan-3-yl)-3-(oxolan-2-yl)propanamide
CID 106355140
3-(oxolan-2-yl)-N-(1-piperidin-4-ylethyl)propanamide
CID 65154890
(2R)-3-methyl-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 79010668
(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide
CID 94114407
N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide
CID 71993437
2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 66166255
(2S)-4-hydroxy-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 107821935
N-(1-bromo-4-methylpentan-2-yl)-3-(oxolan-2-yl)propanamide
CID 114311800
(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide
CID 96524082

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid (CID 81362728) is 3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid is O=C(O)CC(NC(=O)CCC1CCCO1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
The InChIKey is WURJXCFKQDFINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(6-5-10-2-1-7-18-10)14-11(8-13(16)17)9-3-4-9/h9-11H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid?
3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid has a molecular weight of 255.31 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 81362728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).