(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid

C11H18N2O6S — CID 107833509

IUPAC(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
SMILESO=C(CSCC(=O)N1CCOCC1)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H18N2O6S/c14-8(11(17)18)5-12-9(15)6-20-7-10(16)13-1-3-19-4-2-13/h8,14H,1-7H2,(H,12,15)(H,17,18)/t8-/m0/s1
InChIKeyRMNRXKMRZYBJQX-QMMMGPOBSA-N
MW306.34 g/mol
LogP-1.86
Rot. Bonds7

About (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid (PubChem CID 107833509) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
PubChem CID107833509
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Name(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
SMILESO=C(CSCC(=O)N1CCOCC1)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H18N2O6S/c14-8(11(17)18)5-12-9(15)6-20-7-10(16)13-1-3-19-4-2-13/h8,14H,1-7H2,(H,12,15)(H,17,18)/t8-/m0/s1
InChIKeyRMNRXKMRZYBJQX-QMMMGPOBSA-N
XLogP-1.86
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid with MolForge

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Related Compounds

2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66167023
N-(2-hydroxy-3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 115701598
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 113238668
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 66165537
N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 107318984
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 79031362
N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119621224
N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
CID 119621223
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103920035

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid (CID 107833509) is (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid is O=C(CSCC(=O)N1CCOCC1)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid?
The InChIKey is RMNRXKMRZYBJQX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O6S/c14-8(11(17)18)5-12-9(15)6-20-7-10(16)13-1-3-19-4-2-13/h8,14H,1-7H2,(H,12,15)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid has a molecular weight of 306.34 g/mol, XLogP of -1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid is sourced from PubChem (CID 107833509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).