2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid

C13H18N2O5S — CID 115285671

IUPAC2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid
SMILESCC1COC(CO)CN1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O5S/c1-8-7-20-9(6-16)5-15(8)13(19)14-11(12(17)18)10-3-2-4-21-10/h2-4,8-9,11,16H,5-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyLPNGKNBDSSRZMA-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.67
Rot. Bonds4

About 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid

2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 115285671) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID115285671
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid
SMILESCC1COC(CO)CN1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O5S/c1-8-7-20-9(6-16)5-15(8)13(19)14-11(12(17)18)10-3-2-4-21-10/h2-4,8-9,11,16H,5-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyLPNGKNBDSSRZMA-UHFFFAOYSA-N
XLogP0.67
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 81205269
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285633
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
(2S,3S)-2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-3-methylpentanoic acid
CID 81204288
3-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 51083633
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115285427
N-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 81197605
5-methyl-2-(2-phenylethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 110746747
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81219797
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285222
3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 81204807

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid (CID 115285671) is 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid is CC1COC(CO)CN1C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is LPNGKNBDSSRZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-8-7-20-9(6-16)5-15(8)13(19)14-11(12(17)18)10-3-2-4-21-10/h2-4,8-9,11,16H,5-7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid?
2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 314.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).