2-amino-3-(oxan-4-ylmethoxy)propanamide

C9H18N2O3 — CID 62384328

IUPAC2-amino-3-(oxan-4-ylmethoxy)propanamide
SMILESNC(=O)C(N)COCC1CCOCC1
InChIInChI=1S/C9H18N2O3/c10-8(9(11)12)6-14-5-7-1-3-13-4-2-7/h7-8H,1-6,10H2,(H2,11,12)
InChIKeyDIJIHTNVMNOLFU-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.76
Rot. Bonds5

About 2-amino-3-(oxan-4-ylmethoxy)propanamide

2-amino-3-(oxan-4-ylmethoxy)propanamide (PubChem CID 62384328) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-amino-3-(oxan-4-ylmethoxy)propanamide.

Molecular Properties

Compound Name2-amino-3-(oxan-4-ylmethoxy)propanamide
PubChem CID62384328
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-amino-3-(oxan-4-ylmethoxy)propanamide
SMILESNC(=O)C(N)COCC1CCOCC1
InChIInChI=1S/C9H18N2O3/c10-8(9(11)12)6-14-5-7-1-3-13-4-2-7/h7-8H,1-6,10H2,(H2,11,12)
InChIKeyDIJIHTNVMNOLFU-UHFFFAOYSA-N
XLogP-0.76
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(oxan-4-yl)propanamide
CID 64990540
3-amino-4-(oxan-4-ylmethoxy)butan-1-ol
CID 64897932
oxan-4-ylmethyl carbamate
CID 134587773
oxan-4-ylmethyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774168
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415
2-methyl-3-(oxan-4-ylmethoxy)-2-(propan-2-ylamino)propanamide
CID 62382112
2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide
CID 64998872
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxan-4-ylmethoxy)propanamide?
The IUPAC name of 2-amino-3-(oxan-4-ylmethoxy)propanamide (CID 62384328) is 2-amino-3-(oxan-4-ylmethoxy)propanamide.
What is the SMILES notation for 2-amino-3-(oxan-4-ylmethoxy)propanamide?
The canonical SMILES for 2-amino-3-(oxan-4-ylmethoxy)propanamide is NC(=O)C(N)COCC1CCOCC1.
What is the InChIKey of 2-amino-3-(oxan-4-ylmethoxy)propanamide?
The InChIKey is DIJIHTNVMNOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-8(9(11)12)6-14-5-7-1-3-13-4-2-7/h7-8H,1-6,10H2,(H2,11,12).
What are the key properties of 2-amino-3-(oxan-4-ylmethoxy)propanamide?
2-amino-3-(oxan-4-ylmethoxy)propanamide has a molecular weight of 202.25 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxan-4-ylmethoxy)propanamide is sourced from PubChem (CID 62384328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).