2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid

C14H20N2O3S — CID 64616433

IUPAC2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC(C)N(Cc1cccs1)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-10(2)16(9-12-4-3-5-20-12)14(19)15-7-11(8-15)6-13(17)18/h3-5,10-11H,6-9H2,1-2H3,(H,17,18)
InChIKeyRFPYDNVOOQEVCK-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64616433) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64616433
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC(C)N(Cc1cccs1)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-10(2)16(9-12-4-3-5-20-12)14(19)15-7-11(8-15)6-13(17)18/h3-5,10-11H,6-9H2,1-2H3,(H,17,18)
InChIKeyRFPYDNVOOQEVCK-UHFFFAOYSA-N
XLogP2.48
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61455664
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
(2S,4S)-4-hydroxy-1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64712718
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390819
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82847767
2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835236
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842228

Frequently Asked Questions

What is the IUPAC name of 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64616433) is 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid is CC(C)N(Cc1cccs1)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is RFPYDNVOOQEVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)16(9-12-4-3-5-20-12)14(19)15-7-11(8-15)6-13(17)18/h3-5,10-11H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 296.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).