2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid

C14H26N2O4 — CID 107249114

IUPAC2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid
SMILESCC(NCCC1CCN(C(=O)OC(C)(C)C)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10(12(17)18)15-7-5-11-6-8-16(9-11)13(19)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyZNMKUNJMPUVZBR-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds5

About 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid

2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid (PubChem CID 107249114) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid
PubChem CID107249114
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid
SMILESCC(NCCC1CCN(C(=O)OC(C)(C)C)C1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10(12(17)18)15-7-5-11-6-8-16(9-11)13(19)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,17,18)
InChIKeyZNMKUNJMPUVZBR-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(2-methylpentan-3-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782504
tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249105
tert-butyl 3-[2-(1-cyclopropylpropylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782522
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782880
tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 71635386
tert-butyl 3-[2-(5,5-dimethylhexan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 114279953
tert-butyl 3-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 103782479
tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782879
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 103782472
tert-butyl 3-[2-[(1-methylpyrrolidin-3-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 103748312

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid?
The IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid (CID 107249114) is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid.
What is the SMILES notation for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid?
The canonical SMILES for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid is CC(NCCC1CCN(C(=O)OC(C)(C)C)C1)C(=O)O.
What is the InChIKey of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid?
The InChIKey is ZNMKUNJMPUVZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(12(17)18)15-7-5-11-6-8-16(9-11)13(19)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid?
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid is sourced from PubChem (CID 107249114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).