N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide

C18H34N4O4 — CID 23768450

IUPACN-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CC(N(CC(C)C)C(=O)C(C)C)CC1C(=O)NCCN
InChIInChI=1S/C18H34N4O4/c1-12(2)9-21(18(25)13(3)4)14-8-15(17(24)20-7-6-19)22(10-14)16(23)11-26-5/h12-15H,6-11,19H2,1-5H3,(H,20,24)
InChIKeyWGXLWSYSOIUNKG-UHFFFAOYSA-N
MW370.49 g/mol
LogP-0.18
Rot. Bonds9

About N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide

N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide (PubChem CID 23768450) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide
PubChem CID23768450
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC NameN-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CC(N(CC(C)C)C(=O)C(C)C)CC1C(=O)NCCN
InChIInChI=1S/C18H34N4O4/c1-12(2)9-21(18(25)13(3)4)14-8-15(17(24)20-7-6-19)22(10-14)16(23)11-26-5/h12-15H,6-11,19H2,1-5H3,(H,20,24)
InChIKeyWGXLWSYSOIUNKG-UHFFFAOYSA-N
XLogP-0.18
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide
CID 26762722
(2S,4R)-4-amino-N,N-diethyl-1-(methoxyacetyl)pyrrolidine-2-carboxamide
CID 56706730
3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-propan-2-ylpropanamide
CID 26762041
N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032231
(2S,4S)-4-amino-1-(butoxyacetyl)-N-isopropylpyrrolidine-2-carboxamide
CID 56703245
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
CID 10111922
N-(6-aminohexyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
CID 10133948
N-(7-aminoheptyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
CID 10200245
N-(5-aminopentyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidine-2-carboxamide
CID 10291964
1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide
CID 23503457
1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]-N-methyl-N-[6-(methylamino)hexyl]pyrrolidine-2-carboxamide
CID 23503495
(2S)-1-[(2S)-2-[[2-[2-[2-[[2-[bis[2-(methylamino)ethyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]-N-methylpyrrolidine-2-carboxamide
CID 58583174

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide (CID 23768450) is N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide is COCC(=O)N1CC(N(CC(C)C)C(=O)C(C)C)CC1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is WGXLWSYSOIUNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-12(2)9-21(18(25)13(3)4)14-8-15(17(24)20-7-6-19)22(10-14)16(23)11-26-5/h12-15H,6-11,19H2,1-5H3,(H,20,24).
What are the key properties of N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide?
N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of -0.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23768450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).