2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid

C14H25N3O4 — CID 116683202

IUPAC2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid
SMILESCCC(C)NC(=O)CCNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-4-9(2)16-12(18)5-6-15-14(21)17-7-11(8-17)10(3)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyBLJIGCUTGBDYCQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.65
Rot. Bonds7

About 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683202) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683202
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid
SMILESCCC(C)NC(=O)CCNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-4-9(2)16-12(18)5-6-15-14(21)17-7-11(8-17)10(3)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyBLJIGCUTGBDYCQ-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 113225849
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682803
1-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
CID 87036409
2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116683564
2-[1-(2-prop-2-enylsulfanylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106430852
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106004575
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 54900854

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid (CID 116683202) is 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid is CCC(C)NC(=O)CCNC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is BLJIGCUTGBDYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-9(2)16-12(18)5-6-15-14(21)17-7-11(8-17)10(3)13(19)20/h9-11H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).