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

C10H17N3O4S — CID 66444849

IUPAC2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid
SMILESCC(NC(N)=O)C(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C10H17N3O4S/c1-6(12-10(11)17)9(16)13-2-3-18-5-7(13)4-8(14)15/h6-7H,2-5H2,1H3,(H,14,15)(H3,11,12,17)
InChIKeyQVLRTYWSZLKUHC-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.54
Rot. Bonds4

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

2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66444849) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid
PubChem CID66444849
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid
SMILESCC(NC(N)=O)C(=O)N1CCSCC1CC(=O)O
InChIInChI=1S/C10H17N3O4S/c1-6(12-10(11)17)9(16)13-2-3-18-5-7(13)4-8(14)15/h6-7H,2-5H2,1H3,(H,14,15)(H3,11,12,17)
InChIKeyQVLRTYWSZLKUHC-UHFFFAOYSA-N
XLogP-0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66445143
2-[4-[2-(aminomethyl)butanoyl]thiomorpholin-3-yl]acetic acid
CID 66443395
2-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 103309230
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-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444524
2-[4-[(2R)-2-amino-2-phenylacetyl]thiomorpholin-3-yl]acetic acid
CID 66444371
2-[4-(4-propan-2-ylpiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 103500479
2-[4-[2-(dimethylamino)propylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444010
2-[4-(4-methylpentylcarbamoyl)thiomorpholin-3-yl]acetic acid
CID 66445368
2-[4-(2-methylsulfanylacetyl)thiomorpholin-3-yl]acetic acid
CID 66443082

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid (CID 66444849) is 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid is CC(NC(N)=O)C(=O)N1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is QVLRTYWSZLKUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-6(12-10(11)17)9(16)13-2-3-18-5-7(13)4-8(14)15/h6-7H,2-5H2,1H3,(H,14,15)(H3,11,12,17).
What are the key properties of 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 275.33 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(carbamoylamino)propanoyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).