2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide

C11H22N2O3 — CID 81081044

IUPAC2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
SMILESCOCCCC(N)C(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O3/c1-15-6-3-5-10(12)11(14)13-8-9-4-2-7-16-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyNRHBYBURSNOTEI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.04
Rot. Bonds7

About 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide

2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 81081044) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID81081044
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
SMILESCOCCCC(N)C(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O3/c1-15-6-3-5-10(12)11(14)13-8-9-4-2-7-16-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyNRHBYBURSNOTEI-UHFFFAOYSA-N
XLogP0.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979
2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
CID 81088387
N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
N-(3-methoxypropyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7013044
oxan-2-ylmethyl 2-amino-5-methoxypentanoate
CID 81085892
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide (CID 81081044) is 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide is COCCCC(N)C(=O)NCC1CCCO1.
What is the InChIKey of 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is NRHBYBURSNOTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-15-6-3-5-10(12)11(14)13-8-9-4-2-7-16-9/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide?
2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 230.31 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 81081044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).