3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid

C13H18N2O4S — CID 66429537

IUPAC3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)CC1CNCCO1)c1cccs1
InChIInChI=1S/C13H18N2O4S/c16-12(6-9-8-14-3-4-19-9)15-10(7-13(17)18)11-2-1-5-20-11/h1-2,5,9-10,14H,3-4,6-8H2,(H,15,16)(H,17,18)
InChIKeyZGTUQBLVNITQRJ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.76
Rot. Bonds6

About 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid

3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid (PubChem CID 66429537) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid
PubChem CID66429537
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)CC1CNCCO1)c1cccs1
InChIInChI=1S/C13H18N2O4S/c16-12(6-9-8-14-3-4-19-9)15-10(7-13(17)18)11-2-1-5-20-11/h1-2,5,9-10,14H,3-4,6-8H2,(H,15,16)(H,17,18)
InChIKeyZGTUQBLVNITQRJ-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124699769
2-morpholin-2-yl-N-(1-phenylpropyl)acetamide
CID 66427474
N-benzhydryl-2-morpholin-2-ylacetamide;hydrochloride
CID 119675556
N-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 129393193
2-morpholin-2-yl-N-(4-phenylbutan-2-yl)acetamide
CID 66428944
(2R)-2-[(2-morpholin-2-ylacetyl)amino]propanoic acid
CID 79036623
N-[(1S)-1-(furan-2-yl)ethyl]-2-morpholin-2-ylacetamide
CID 81400402
(3R)-3-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoylamino]-3-thiophen-2-ylpropanoic acid
CID 125150545
N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide
CID 56793867
2-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]acetic acid
CID 66427232
2-piperidin-3-yl-N-(1-thiophen-2-ylpropyl)acetamide
CID 62676887
N-[1-(4-methoxyphenyl)propyl]-2-morpholin-2-ylacetamide
CID 66433782

Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid (CID 66429537) is 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid is O=C(O)CC(NC(=O)CC1CNCCO1)c1cccs1.
What is the InChIKey of 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid?
The InChIKey is ZGTUQBLVNITQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-12(6-9-8-14-3-4-19-9)15-10(7-13(17)18)11-2-1-5-20-11/h1-2,5,9-10,14H,3-4,6-8H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid?
3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid has a molecular weight of 298.36 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-2-ylacetyl)amino]-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 66429537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).