2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid

C14H20N2O4 — CID 116683044

IUPAC2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(Cc1ccco1)NC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H20N2O4/c1-9(6-12-4-3-5-20-12)15-14(19)16-7-11(8-16)10(2)13(17)18/h3-5,9-11H,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySXXUIJLAPGLPMV-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.57
Rot. Bonds5

About 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid

2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683044) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683044
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(Cc1ccco1)NC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H20N2O4/c1-9(6-12-4-3-5-20-12)15-14(19)16-7-11(8-16)10(2)13(17)18/h3-5,9-11H,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySXXUIJLAPGLPMV-UHFFFAOYSA-N
XLogP1.57
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 71893038
(3R)-3-acetamido-N-[(2S)-1-(furan-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 97087871
2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 35684027
N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-(methanesulfonamido)piperidine-1-carboxamide
CID 95383461
3-ethyl-1-[1-(furan-2-yl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147179
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264
1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096088
2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]pentanedioic acid
CID 61471226
(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227310
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenylpyrrolidine-1-carboxamide
CID 96554428
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid (CID 116683044) is 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid is CC(Cc1ccco1)NC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is SXXUIJLAPGLPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(6-12-4-3-5-20-12)15-14(19)16-7-11(8-16)10(2)13(17)18/h3-5,9-11H,6-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).