4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid

C10H16N2O3S — CID 82904599

IUPAC4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid
SMILESNC1(C(=O)N2CCSCC2C(=O)O)CCC1
InChIInChI=1S/C10H16N2O3S/c11-10(2-1-3-10)9(15)12-4-5-16-6-7(12)8(13)14/h7H,1-6,11H2,(H,13,14)
InChIKeyKPZQIOOTEVULNE-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.10
Rot. Bonds2

About 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid

4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 82904599) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid
PubChem CID82904599
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid
SMILESNC1(C(=O)N2CCSCC2C(=O)O)CCC1
InChIInChI=1S/C10H16N2O3S/c11-10(2-1-3-10)9(15)12-4-5-16-6-7(12)8(13)14/h7H,1-6,11H2,(H,13,14)
InChIKeyKPZQIOOTEVULNE-UHFFFAOYSA-N
XLogP-0.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81172472
3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65466419
4-(2-methylthiolane-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82901567
4-[2-(azetidin-3-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82904022
4-[2-(1-methoxycyclobutyl)acetyl]thiomorpholine-3-carboxylic acid
CID 103555772
(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 113280688
4-[1-(4-aminophenyl)cyclopropanecarbonyl]thiomorpholine-3-carboxylic acid
CID 115913897
4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid
CID 82902989
ethyl 4-(4-aminooxane-4-carbonyl)thiomorpholine-3-carboxylate
CID 115294209
4-(3-aminobutanoyl)thiomorpholine-3-carboxylic acid
CID 82904428
4-(4-ethylpiperidine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904016
4-(4-amino-3-methyloxolane-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904018

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid (CID 82904599) is 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid is NC1(C(=O)N2CCSCC2C(=O)O)CCC1.
What is the InChIKey of 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is KPZQIOOTEVULNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c11-10(2-1-3-10)9(15)12-4-5-16-6-7(12)8(13)14/h7H,1-6,11H2,(H,13,14).
What are the key properties of 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid?
4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82904599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).