2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide

C10H20N2O3 — CID 62472979

IUPAC2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCC1CCCO1
InChIInChI=1S/C10H20N2O3/c1-14-6-4-9(11)10(13)12-7-8-3-2-5-15-8/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeySNGKQCKRWXOBTF-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.35
Rot. Bonds6

About 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide

2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 62472979) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
PubChem CID62472979
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)NCC1CCCO1
InChIInChI=1S/C10H20N2O3/c1-14-6-4-9(11)10(13)12-7-8-3-2-5-15-8/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeySNGKQCKRWXOBTF-UHFFFAOYSA-N
XLogP-0.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methoxy-N-(oxolan-2-ylmethyl)pentanamide
CID 81081044
2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide
CID 62473603
(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-4-methoxy-N-[(2-methylcyclopentyl)methyl]butanamide
CID 107418374
N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943055
N-(3-methoxypropyl)-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7013045
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 107569103
(2R)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 103794477

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide (CID 62472979) is 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide is COCCC(N)C(=O)NCC1CCCO1.
What is the InChIKey of 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is SNGKQCKRWXOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-6-4-9(11)10(13)12-7-8-3-2-5-15-8/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide?
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 216.28 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 62472979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).