2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid

C15H26N2O3 — CID 64583342

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
SMILESCOCC1CCN(CC(NC2CC2)(C(=O)O)C2CC2)C1
InChIInChI=1S/C15H26N2O3/c1-20-9-11-6-7-17(8-11)10-15(14(18)19,12-2-3-12)16-13-4-5-13/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyUBSWECZCTVNGQU-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.94
Rot. Bonds8

About 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid

2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 64583342) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
PubChem CID64583342
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
SMILESCOCC1CCN(CC(NC2CC2)(C(=O)O)C2CC2)C1
InChIInChI=1S/C15H26N2O3/c1-20-9-11-6-7-17(8-11)10-15(14(18)19,12-2-3-12)16-13-4-5-13/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyUBSWECZCTVNGQU-UHFFFAOYSA-N
XLogP0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583947
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoic acid
CID 63907482
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103537930
2-cyclopropyl-2-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106588673
ethyl 2-cyclopropyl-3-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanoate
CID 106588689
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoate
CID 63907865
2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 64810845
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)propanoic acid
CID 63915892
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid
CID 63927012

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid (CID 64583342) is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid is COCC1CCN(CC(NC2CC2)(C(=O)O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is UBSWECZCTVNGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-9-11-6-7-17(8-11)10-15(14(18)19,12-2-3-12)16-13-4-5-13/h11-13,16H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid?
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 64583342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).