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

C14H17N3O4 — CID 64618914

IUPAC2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESNC(=O)c1ccc(NC(=O)CN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C14H17N3O4/c15-14(21)10-1-3-11(4-2-10)16-12(18)8-17-6-9(7-17)5-13(19)20/h1-4,9H,5-8H2,(H2,15,21)(H,16,18)(H,19,20)
InChIKeyBBNDZUKXFMZQLY-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.13
Rot. Bonds6

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

2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid (PubChem CID 64618914) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
PubChem CID64618914
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESNC(=O)c1ccc(NC(=O)CN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C14H17N3O4/c15-14(21)10-1-3-11(4-2-10)16-12(18)8-17-6-9(7-17)5-13(19)20/h1-4,9H,5-8H2,(H2,15,21)(H,16,18)(H,19,20)
InChIKeyBBNDZUKXFMZQLY-UHFFFAOYSA-N
XLogP0.13
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616490
2-[1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64618096
4-[[2-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetyl]amino]benzamide
CID 91828868
2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64616096
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026144
4-[[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]benzamide
CID 11940672
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
2-[1-(2-anilino-2-oxoethyl)pyrrolidin-3-yl]acetamide
CID 19705544
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
2-[1-[2-oxo-2-(2,4,6-triiodoanilino)ethyl]azetidin-3-yl]acetic acid
CID 64618325
4-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]benzamide
CID 79834650
2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618917

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid (CID 64618914) is 2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid is NC(=O)c1ccc(NC(=O)CN2CC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The InChIKey is BBNDZUKXFMZQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-14(21)10-1-3-11(4-2-10)16-12(18)8-17-6-9(7-17)5-13(19)20/h1-4,9H,5-8H2,(H2,15,21)(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).