2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid

C10H16N2O3S — CID 62710695

IUPAC2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid
SMILESO=C(O)C(NC(=O)N1CCSCC1)C1CC1
InChIInChI=1S/C10H16N2O3S/c13-9(14)8(7-1-2-7)11-10(15)12-3-5-16-6-4-12/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyKXLBOSOQALJHFO-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.61
Rot. Bonds3

About 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid

2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid (PubChem CID 62710695) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid
PubChem CID62710695
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid
SMILESO=C(O)C(NC(=O)N1CCSCC1)C1CC1
InChIInChI=1S/C10H16N2O3S/c13-9(14)8(7-1-2-7)11-10(15)12-3-5-16-6-4-12/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyKXLBOSOQALJHFO-UHFFFAOYSA-N
XLogP0.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]acetic acid
CID 55107629
2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
2-cyclohexyl-2-[(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190973
2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
CID 62710378
2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 63980178
2-cyclopropyl-2-[(4-methylsulfanylazepane-1-carbonyl)amino]acetic acid
CID 114237984
2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid
CID 107405749
thiomorpholine-4-carbonylcarbamic acid
CID 140993174
2-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
CID 64693278
2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 81108488
2-cyclopropyl-2-[(2-methylmorpholine-4-carbonyl)amino]acetic acid
CID 62695647
3-(thiomorpholine-4-carbonylamino)butanoic acid
CID 61200427

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid (CID 62710695) is 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid is O=C(O)C(NC(=O)N1CCSCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid?
The InChIKey is KXLBOSOQALJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-9(14)8(7-1-2-7)11-10(15)12-3-5-16-6-4-12/h7-8H,1-6H2,(H,11,15)(H,13,14).
What are the key properties of 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid?
2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid has a molecular weight of 244.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid is sourced from PubChem (CID 62710695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).