2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid

C10H16N2O3S — CID 61200221

IUPAC2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)N1CCSCC1)C1CC1
InChIInChI=1S/C10H16N2O3S/c13-9(14)7-12(8-1-2-8)10(15)11-3-5-16-6-4-11/h8H,1-7H2,(H,13,14)
InChIKeyQWTSAMXKSASOJQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.70
Rot. Bonds3

About 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid

2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid (PubChem CID 61200221) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid
PubChem CID61200221
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)N1CCSCC1)C1CC1
InChIInChI=1S/C10H16N2O3S/c13-9(14)7-12(8-1-2-8)10(15)11-3-5-16-6-4-11/h8H,1-7H2,(H,13,14)
InChIKeyQWTSAMXKSASOJQ-UHFFFAOYSA-N
XLogP0.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
2-[cyclopropyl-(4-propylpiperidine-1-carbonyl)amino]acetic acid
CID 62206678
2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid
CID 113418208
2-[(1,1-dioxothiolan-3-yl)-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61189620
2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid
CID 55030286
2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 106320560
2-[cyclopentyl-(3-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61200673
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid
CID 60826561
2-[cyclobutyl-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetic acid
CID 138005412
2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 65363951
2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid
CID 62966758
2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 102891286

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid (CID 61200221) is 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)N1CCSCC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid?
The InChIKey is QWTSAMXKSASOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-9(14)7-12(8-1-2-8)10(15)11-3-5-16-6-4-11/h8H,1-7H2,(H,13,14).
What are the key properties of 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid?
2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid has a molecular weight of 244.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiomorpholine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 61200221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).