3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid

C13H26N2O2 — CID 65056765

IUPAC3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
SMILESCC(C)N1CCC(N(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-7-5-12(9-14)15(11(3)4)8-6-13(16)17/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyXENIGKQNAZHFQN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.65
Rot. Bonds6

About 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid

3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid (PubChem CID 65056765) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
PubChem CID65056765
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
SMILESCC(C)N1CCC(N(CCC(=O)O)C(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-7-5-12(9-14)15(11(3)4)8-6-13(16)17/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyXENIGKQNAZHFQN-UHFFFAOYSA-N
XLogP1.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
CID 65058588
3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
3-[(1-methylsulfonylpiperidin-4-yl)-propan-2-ylamino]propanoic acid
CID 114239173
2-[carboxymethyl-(1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 65065595
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
3-[(3,3-dimethylcyclopentyl)-propan-2-ylamino]propanoic acid
CID 80698919
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687
3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid
CID 65059132
3-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]propanoic acid
CID 65087705
N,N,1-tri(propan-2-yl)pyrrolidin-3-amine
CID 163258645
4-[methyl-(1-propan-2-ylazepan-4-yl)amino]butanoic acid
CID 65076652

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid (CID 65056765) is 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid is CC(C)N1CCC(N(CCC(=O)O)C(C)C)C1.
What is the InChIKey of 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
The InChIKey is XENIGKQNAZHFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)14-7-5-12(9-14)15(11(3)4)8-6-13(16)17/h10-12H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 65056765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).