acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide

C10H20N2O4 — CID 146314258

IUPACacetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide
SMILESCC(=O)O.CCCC(=O)NCC1(O)CNC1
InChIInChI=1S/C8H16N2O2.C2H4O2/c1-2-3-7(11)10-6-8(12)4-9-5-8;1-2(3)4/h9,12H,2-6H2,1H3,(H,10,11);1H3,(H,3,4)
InChIKeyJMJUSXHLWMSBSK-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.67
Rot. Bonds4

About acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide

acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide (PubChem CID 146314258) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Nameacetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide
PubChem CID146314258
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nameacetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide
SMILESCC(=O)O.CCCC(=O)NCC1(O)CNC1
InChIInChI=1S/C8H16N2O2.C2H4O2/c1-2-3-7(11)10-6-8(12)4-9-5-8;1-2(3)4/h9,12H,2-6H2,1H3,(H,10,11);1H3,(H,3,4)
InChIKeyJMJUSXHLWMSBSK-UHFFFAOYSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]butanamide
CID 111445246
N-[[1-(chloromethyl)cyclopropyl]methyl]butanamide
CID 115456097
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
CID 91836814
2-cyclopentyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 114760691
2-cyclobutyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 103162273
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide?
The IUPAC name of acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide (CID 146314258) is acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide.
What is the SMILES notation for acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide?
The canonical SMILES for acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide is CC(=O)O.CCCC(=O)NCC1(O)CNC1.
What is the InChIKey of acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide?
The InChIKey is JMJUSXHLWMSBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H4O2/c1-2-3-7(11)10-6-8(12)4-9-5-8;1-2(3)4/h9,12H,2-6H2,1H3,(H,10,11);1H3,(H,3,4).
What are the key properties of acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide?
acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide has a molecular weight of 232.28 g/mol, XLogP of -0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[(3-hydroxyazetidin-3-yl)methyl]butanamide is sourced from PubChem (CID 146314258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).