2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid

C11H19NO3 — CID 64605561

IUPAC2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
SMILESCC(C)CCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-8(2)3-4-10(13)12-6-9(7-12)5-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyLKNMCDSADMVJRR-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds5

About 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid

2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid (PubChem CID 64605561) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
PubChem CID64605561
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
SMILESCC(C)CCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-8(2)3-4-10(13)12-6-9(7-12)5-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyLKNMCDSADMVJRR-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
CID 64605378
2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid
CID 64603746
2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid
CID 64605399
2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid
CID 114866965
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
CID 103156000
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-methylpentan-1-one
CID 43596073
2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64603524
2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62691166
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid (CID 64605561) is 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid is CC(C)CCC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid?
The InChIKey is LKNMCDSADMVJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)3-4-10(13)12-6-9(7-12)5-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid?
2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).