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

C13H22N2O4 — CID 61198697

IUPAC2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NC(C)(C(=O)O)C1CC1)C1CCCO1
InChIInChI=1S/C13H22N2O4/c1-8(10-4-3-7-19-10)14-12(18)15-13(2,11(16)17)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyWAGGMSKXLVUAGH-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.11
Rot. Bonds5

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

2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 61198697) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID61198697
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NC(C)(C(=O)O)C1CC1)C1CCCO1
InChIInChI=1S/C13H22N2O4/c1-8(10-4-3-7-19-10)14-12(18)15-13(2,11(16)17)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyWAGGMSKXLVUAGH-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 65265903
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
2,2-diethyl-4-oxo-4-[1-(oxolan-2-yl)ethylamino]butanoic acid
CID 43533852
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
2,4-dimethyl-2-[1-(oxolan-2-yl)ethylamino]pentanoic acid
CID 114994031
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95733945
(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759
2-[[2-[1-(oxolan-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 61198700
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65159046

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid (CID 61198697) is 2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid is CC(NC(=O)NC(C)(C(=O)O)C1CC1)C1CCCO1.
What is the InChIKey of 2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is WAGGMSKXLVUAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(10-4-3-7-19-10)14-12(18)15-13(2,11(16)17)9-5-6-9/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid?
2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[1-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61198697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).