methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate

C11H21N3O3 — CID 123187710

IUPACmethyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate
SMILESCCCC(NC(=O)C1CC(N)CN1)C(=O)OC
InChIInChI=1S/C11H21N3O3/c1-3-4-8(11(16)17-2)14-10(15)9-5-7(12)6-13-9/h7-9,13H,3-6,12H2,1-2H3,(H,14,15)
InChIKeyNOILOHYNUAFIRC-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.87
Rot. Bonds5

About methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate

methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate (PubChem CID 123187710) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate
PubChem CID123187710
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate
SMILESCCCC(NC(=O)C1CC(N)CN1)C(=O)OC
InChIInChI=1S/C11H21N3O3/c1-3-4-8(11(16)17-2)14-10(15)9-5-7(12)6-13-9/h7-9,13H,3-6,12H2,1-2H3,(H,14,15)
InChIKeyNOILOHYNUAFIRC-UHFFFAOYSA-N
XLogP-0.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate (CID 123187710) is methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate is CCCC(NC(=O)C1CC(N)CN1)C(=O)OC.
What is the InChIKey of methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate?
The InChIKey is NOILOHYNUAFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-4-8(11(16)17-2)14-10(15)9-5-7(12)6-13-9/h7-9,13H,3-6,12H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate?
methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate has a molecular weight of 243.31 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-aminopyrrolidine-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 123187710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).