2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid

C10H18N2O3 — CID 43468727

IUPAC2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(=O)N1CCC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)9(10(14)15)11-6-8(13)12-4-3-5-12/h7,9,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyHDLRTKSKDRCGGN-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.08
Rot. Bonds5

About 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid

2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid (PubChem CID 43468727) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid
PubChem CID43468727
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(=O)N1CCC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)9(10(14)15)11-6-8(13)12-4-3-5-12/h7,9,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyHDLRTKSKDRCGGN-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
2,5,6-trimethyl-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]heptan-3-one
CID 130315498
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid
CID 43468436
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
(2R)-2-(azocane-1-carbonylamino)-3-methylbutanoic acid
CID 79010449
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468179
2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]propanoic acid
CID 43823825

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid (CID 43468727) is 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid is CC(C)C(NCC(=O)N1CCC1)C(=O)O.
What is the InChIKey of 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid?
The InChIKey is HDLRTKSKDRCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)9(10(14)15)11-6-8(13)12-4-3-5-12/h7,9,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid?
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 43468727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).