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

C14H24N2O4 — CID 65159046

IUPAC2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCCC1CCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18,10-6-7-10)16-13(19)15-8-2-4-11-5-3-9-20-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRSVZOFGJFRCRCT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds7

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

2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid (PubChem CID 65159046) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
PubChem CID65159046
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
SMILESCC(NC(=O)NCCCC1CCCO1)(C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18,10-6-7-10)16-13(19)15-8-2-4-11-5-3-9-20-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRSVZOFGJFRCRCT-UHFFFAOYSA-N
XLogP1.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65158999
2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid
CID 79790302
3-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]butanoic acid
CID 65159095
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 110025019
3-[3-(oxan-2-yl)propylcarbamoylamino]propanoic acid
CID 122009972
2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 63832113
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 83148663
2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 63323875
4-[3-(oxolan-2-yl)propylcarbamoylamino]oxane-4-carboxylic acid
CID 106528159

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid (CID 65159046) is 2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid is CC(NC(=O)NCCCC1CCCO1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid?
The InChIKey is RSVZOFGJFRCRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(12(17)18,10-6-7-10)16-13(19)15-8-2-4-11-5-3-9-20-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid?
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid is sourced from PubChem (CID 65159046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).