2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid

C12H19NO4S — CID 119210529

IUPAC2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)COCC1CC1
InChIInChI=1S/C12H19NO4S/c14-11(7-17-6-9-1-2-9)13-3-4-18-8-10(13)5-12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyGKEUFHKUVUIAJK-UHFFFAOYSA-N
MW273.35 g/mol
LogP0.83
Rot. Bonds6

About 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid

2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid (PubChem CID 119210529) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid
PubChem CID119210529
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)COCC1CC1
InChIInChI=1S/C12H19NO4S/c14-11(7-17-6-9-1-2-9)13-3-4-18-8-10(13)5-12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyGKEUFHKUVUIAJK-UHFFFAOYSA-N
XLogP0.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 66443894
2-[4-(2-cycloheptylacetyl)thiomorpholin-3-yl]acetic acid
CID 115909820
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082
2-(4-decanoylthiomorpholin-3-yl)acetic acid
CID 66444636
2-(4-nonanoylthiomorpholin-3-yl)acetic acid
CID 66445249
2-[4-[2-(2-methoxyethylamino)acetyl]thiomorpholin-3-yl]acetic acid
CID 79291484
2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid
CID 66443584
2-(4-ethoxycarbonylthiomorpholin-3-yl)acetic acid
CID 66444292
2-[4-(3,4-dimethylpentanoyl)thiomorpholin-3-yl]acetic acid
CID 119210437
2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid
CID 66442999
2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid
CID 120520657
2-[4-(cyclohexanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66444455

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid (CID 119210529) is 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)COCC1CC1.
What is the InChIKey of 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is GKEUFHKUVUIAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c14-11(7-17-6-9-1-2-9)13-3-4-18-8-10(13)5-12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 273.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylmethoxy)acetyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 119210529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).