methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate

C13H24N2O2 — CID 103259490

IUPACmethyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate
SMILESCOC(=O)C(NCC(C)N1CCCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-10(15-7-3-4-8-15)9-14-12(11-5-6-11)13(16)17-2/h10-12,14H,3-9H2,1-2H3
InChIKeyVVNGWTNRZFHGSS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds6

About methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate

methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate (PubChem CID 103259490) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate
PubChem CID103259490
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate
SMILESCOC(=O)C(NCC(C)N1CCCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-10(15-7-3-4-8-15)9-14-12(11-5-6-11)13(16)17-2/h10-12,14H,3-9H2,1-2H3
InChIKeyVVNGWTNRZFHGSS-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
CID 103244360
methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 103251044
N-(1-cyclopropylethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79692352
methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
CID 103258992
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
CID 103233428
2-pyrrolidin-1-ylpropylurea
CID 112728366
methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
CID 107816750
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
N-(1-cyclopentylethyl)-2-piperidin-1-ylpropan-1-amine
CID 62632654
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 103255210

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate (CID 103259490) is methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate is COC(=O)C(NCC(C)N1CCCC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate?
The InChIKey is VVNGWTNRZFHGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(15-7-3-4-8-15)9-14-12(11-5-6-11)13(16)17-2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate?
methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate has a molecular weight of 240.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate is sourced from PubChem (CID 103259490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).