(2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide

C10H20N2O4S — CID 59575883

IUPAC(2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESCC(=O)COCCOCCNC(=O)[C@@H](N)CS
InChIInChI=1S/C10H20N2O4S/c1-8(13)6-16-5-4-15-3-2-12-10(14)9(11)7-17/h9,17H,2-7,11H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyQDORZKSUBRSIGH-VIFPVBQESA-N
MW264.35 g/mol
LogP-1.02
Rot. Bonds10

About (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide

(2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide (PubChem CID 59575883) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
PubChem CID59575883
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESCC(=O)COCCOCCNC(=O)[C@@H](N)CS
InChIInChI=1S/C10H20N2O4S/c1-8(13)6-16-5-4-15-3-2-12-10(14)9(11)7-17/h9,17H,2-7,11H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyQDORZKSUBRSIGH-VIFPVBQESA-N
XLogP-1.02
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-N-(2-sulfanylethyl)propanamide
CID 177680409
N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-sulfanylpropanamide
CID 169679788
2-(methylamino)-N-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 176433229
2-amino-N-[2-(2-sulfanylethoxy)ethyl]propanamide
CID 17977435
N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 23187016
2-amino-N-(2-ethoxy-2-sulfanylethyl)propanamide
CID 54292767
N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide
CID 58091987
(2R)-2-amino-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-3-sulfanylpropanamide
CID 58661398
2-amino-N-[2-[2-[2-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
CID 58785832
N-methyl-2-[[2-[2-[2-(methylamino)ethoxy]ethoxy]acetyl]amino]propanamide
CID 58954500
N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 59575663
(2R)-2-[[(2R)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 59628218

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide (CID 59575883) is (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide is CC(=O)COCCOCCNC(=O)[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
The InChIKey is QDORZKSUBRSIGH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(13)6-16-5-4-15-3-2-12-10(14)9(11)7-17/h9,17H,2-7,11H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide?
(2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide has a molecular weight of 264.35 g/mol, XLogP of -1.02, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 59575883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).