2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid

C13H26N2O2 — CID 114991783

IUPAC2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid
SMILESCCN(CC)CC(C)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H26N2O2/c1-5-15(6-2)9-10(3)14-13(4,12(16)17)11-7-8-11/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyFQYVSQRQZXHEFH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.56
Rot. Bonds8

About 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid

2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid (PubChem CID 114991783) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid
PubChem CID114991783
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid
SMILESCCN(CC)CC(C)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H26N2O2/c1-5-15(6-2)9-10(3)14-13(4,12(16)17)11-7-8-11/h10-11,14H,5-9H2,1-4H3,(H,16,17)
InChIKeyFQYVSQRQZXHEFH-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid
CID 114995374
2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
CID 114991056
3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
CID 79623860
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
2-cyclopropyl-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55001121
4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784879
2-cyclopropyl-2-[[ethyl(propyl)carbamoyl]amino]propanoic acid
CID 61195647
2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
1-N,1-N-diethyl-2-N-(3-methylpentan-3-yl)propane-1,2-diamine
CID 166937808
2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978652
2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115910047
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid (CID 114991783) is 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid is CCN(CC)CC(C)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid?
The InChIKey is FQYVSQRQZXHEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-15(6-2)9-10(3)14-13(4,12(16)17)11-7-8-11/h10-11,14H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid?
2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid is sourced from PubChem (CID 114991783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).