2-amino-N-(oxan-3-yl)butanamide

C9H18N2O2 — CID 63361393

IUPAC2-amino-N-(oxan-3-yl)butanamide
SMILESCCC(N)C(=O)NC1CCCOC1
InChIInChI=1S/C9H18N2O2/c1-2-8(10)9(12)11-7-4-3-5-13-6-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyZPESVZMFGMSOLR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.02
Rot. Bonds3

About 2-amino-N-(oxan-3-yl)butanamide

2-amino-N-(oxan-3-yl)butanamide (PubChem CID 63361393) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-N-(oxan-3-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(oxan-3-yl)butanamide
PubChem CID63361393
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-N-(oxan-3-yl)butanamide
SMILESCCC(N)C(=O)NC1CCCOC1
InChIInChI=1S/C9H18N2O2/c1-2-8(10)9(12)11-7-4-3-5-13-6-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyZPESVZMFGMSOLR-UHFFFAOYSA-N
XLogP0.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(oxan-3-yl)hexanamide
CID 63361485
2-amino-N-(oxan-3-yl)-3-phenylpropanamide
CID 63361697
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
N-(oxan-3-yl)acetamide
CID 55285282
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
(2R)-2-amino-N-piperidin-3-ylbutanamide
CID 131134417
(2S)-2-amino-N-(thian-3-yl)butanamide
CID 103797750
2-amino-2-methyl-N-(oxan-3-yl)pentanamide
CID 63361438
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108
3-ethylsulfonyl-N-(oxan-3-yl)propanamide
CID 176706473
2-amino-2-methyl-N-(oxan-3-yl)pentanamide;hydrochloride
CID 119774898

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxan-3-yl)butanamide?
The IUPAC name of 2-amino-N-(oxan-3-yl)butanamide (CID 63361393) is 2-amino-N-(oxan-3-yl)butanamide.
What is the SMILES notation for 2-amino-N-(oxan-3-yl)butanamide?
The canonical SMILES for 2-amino-N-(oxan-3-yl)butanamide is CCC(N)C(=O)NC1CCCOC1.
What is the InChIKey of 2-amino-N-(oxan-3-yl)butanamide?
The InChIKey is ZPESVZMFGMSOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-8(10)9(12)11-7-4-3-5-13-6-7/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-N-(oxan-3-yl)butanamide?
2-amino-N-(oxan-3-yl)butanamide has a molecular weight of 186.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxan-3-yl)butanamide is sourced from PubChem (CID 63361393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).