2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid

C11H21N3O3 — CID 64616867

IUPAC2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCC(CNC(=O)N1CC(CC(=O)O)C1)N(C)C
InChIInChI=1S/C11H21N3O3/c1-8(13(2)3)5-12-11(17)14-6-9(7-14)4-10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeySMPFHIZWEBQJAJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.05
Rot. Bonds5

About 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64616867) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID64616867
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCC(CNC(=O)N1CC(CC(=O)O)C1)N(C)C
InChIInChI=1S/C11H21N3O3/c1-8(13(2)3)5-12-11(17)14-6-9(7-14)4-10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeySMPFHIZWEBQJAJ-UHFFFAOYSA-N
XLogP0.05
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 115581577
2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
CID 64617301
2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618398
2-[1-(1-cyclopropylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616011
2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 104829196
2-[4-[2-(dimethylamino)propylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444010
2-[1-[(1-propylcyclopropyl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 114101498
2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616008
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
2-[1-[butan-2-yl(ethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618614
(2R,4R)-1-[2-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999398
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid
CID 106917190

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid (CID 64616867) is 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid is CC(CNC(=O)N1CC(CC(=O)O)C1)N(C)C.
What is the InChIKey of 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is SMPFHIZWEBQJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(13(2)3)5-12-11(17)14-6-9(7-14)4-10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 243.31 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).