N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

C17H28N4O4 — CID 23852063

IUPACN-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CC(N(C(=O)C2CC2)C2CC2)CC1C(=O)NCCN
InChIInChI=1S/C17H28N4O4/c1-25-10-15(22)20-9-13(8-14(20)16(23)19-7-6-18)21(12-4-5-12)17(24)11-2-3-11/h11-14H,2-10,18H2,1H3,(H,19,23)
InChIKeyLQFXTHBSJPIYDW-UHFFFAOYSA-N
MW352.44 g/mol
LogP-0.92
Rot. Bonds8

About N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide

N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 23852063) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
PubChem CID23852063
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC NameN-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CC(N(C(=O)C2CC2)C2CC2)CC1C(=O)NCCN
InChIInChI=1S/C17H28N4O4/c1-25-10-15(22)20-9-13(8-14(20)16(23)19-7-6-18)21(12-4-5-12)17(24)11-2-3-11/h11-14H,2-10,18H2,1H3,(H,19,23)
InChIKeyLQFXTHBSJPIYDW-UHFFFAOYSA-N
XLogP-0.92
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23766073
N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23908203
(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23738120
N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23848354
N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide
CID 23992530
1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide
CID 23960148
N-(2-aminoethyl)-4-[cyclopropanecarbonyl(2-methylpropyl)amino]-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 23797419
(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23827261
N-(2-aminoethyl)-4-[cyclopropanecarbonyl(oxolan-2-ylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 23738249
N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(2-methoxyacetyl)-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide
CID 23881678
N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 23741945
N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(2-methoxyacetyl)-4-[(4-methoxybenzoyl)-(2-methylpropyl)amino]pyrrolidine-2-carboxamide
CID 23994933

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide (CID 23852063) is N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is COCC(=O)N1CC(N(C(=O)C2CC2)C2CC2)CC1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is LQFXTHBSJPIYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-25-10-15(22)20-9-13(8-14(20)16(23)19-7-6-18)21(12-4-5-12)17(24)11-2-3-11/h11-14H,2-10,18H2,1H3,(H,19,23).
What are the key properties of N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide?
N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of -0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 23852063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).