2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid

C9H15N3O4 — CID 64616484

IUPAC2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid
SMILESNC(=O)NC(=O)CCN1CC(CC(=O)O)C1
InChIInChI=1S/C9H15N3O4/c10-9(16)11-7(13)1-2-12-4-6(5-12)3-8(14)15/h6H,1-5H2,(H,14,15)(H3,10,11,13,16)
InChIKeyUGUBVPPCAHWIJQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.02
Rot. Bonds5

About 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid

2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid (PubChem CID 64616484) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid
PubChem CID64616484
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid
SMILESNC(=O)NC(=O)CCN1CC(CC(=O)O)C1
InChIInChI=1S/C9H15N3O4/c10-9(16)11-7(13)1-2-12-4-6(5-12)3-8(14)15/h6H,1-5H2,(H,14,15)(H3,10,11,13,16)
InChIKeyUGUBVPPCAHWIJQ-UHFFFAOYSA-N
XLogP-1.02
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid (CID 64616484) is 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid is NC(=O)NC(=O)CCN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid?
The InChIKey is UGUBVPPCAHWIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-9(16)11-7(13)1-2-12-4-6(5-12)3-8(14)15/h6H,1-5H2,(H,14,15)(H3,10,11,13,16).
What are the key properties of 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid?
2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid has a molecular weight of 229.24 g/mol, XLogP of -1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).