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

C11H20N2O3S — CID 66443584

IUPAC2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid
SMILESCC(N)CCC(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-8(12)2-3-10(14)13-4-5-17-7-9(13)6-11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyYUZARBIKBSNMNQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.53
Rot. Bonds5

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

2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66443584) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid
PubChem CID66443584
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid
SMILESCC(N)CCC(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-8(12)2-3-10(14)13-4-5-17-7-9(13)6-11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyYUZARBIKBSNMNQ-UHFFFAOYSA-N
XLogP0.53
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxycarbonylthiomorpholin-3-yl)acetic acid
CID 66444292
2-[4-(3,4-dimethylpentanoyl)thiomorpholin-3-yl]acetic acid
CID 119210437
4-amino-1-(3-phenylthiomorpholin-4-yl)pentan-1-one
CID 120559857
2-(4-decanoylthiomorpholin-3-yl)acetic acid
CID 66444636
2-(4-nonanoylthiomorpholin-3-yl)acetic acid
CID 66445249
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082
2-[4-[3-(aminomethyl)-5-methylhexanoyl]thiomorpholin-3-yl]acetic acid
CID 66443592
2-[4-[2-(2-methoxyethoxy)acetyl]thiomorpholin-3-yl]acetic acid
CID 66443894
2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid
CID 66444849
2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid
CID 66442999
2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444524
2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210763

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid (CID 66443584) is 2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid is CC(N)CCC(=O)N1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is YUZARBIKBSNMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(12)2-3-10(14)13-4-5-17-7-9(13)6-11(15)16/h8-9H,2-7,12H2,1H3,(H,15,16).
What are the key properties of 2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid?
2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 260.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminopentanoyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66443584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).