2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide

C11H21N3O3 — CID 81102695

IUPAC2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
SMILESCOCCCC(N)C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C11H21N3O3/c1-17-6-2-3-9(12)11(16)13-7-8-4-5-10(15)14-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyXWEZLTABTOMCNW-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.86
Rot. Bonds7

About 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide

2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide (PubChem CID 81102695) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
PubChem CID81102695
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
SMILESCOCCCC(N)C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C11H21N3O3/c1-17-6-2-3-9(12)11(16)13-7-8-4-5-10(15)14-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyXWEZLTABTOMCNW-UHFFFAOYSA-N
XLogP-0.86
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 64895784
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide
CID 103930019
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide
CID 81083023
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044
2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 103498544
2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
CID 81088387
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-(2-methoxyethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
CID 79282461
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxypentanamide
CID 81080945
2-amino-N-(cyanomethyl)-5-methoxypentanamide
CID 81089065

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide (CID 81102695) is 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide is COCCCC(N)C(=O)NCC1CCC(=O)N1.
What is the InChIKey of 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide?
The InChIKey is XWEZLTABTOMCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-17-6-2-3-9(12)11(16)13-7-8-4-5-10(15)14-8/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide?
2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide has a molecular weight of 243.31 g/mol, XLogP of -0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide is sourced from PubChem (CID 81102695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).