(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid

C8H14N2O5S — CID 107775462

IUPAC(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid
SMILESCC(=O)N[C@@H](CS(=O)CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5S/c1-5(11)10-6(8(13)14)4-16(15)3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-,16?/m0/s1
InChIKeyMIZMPWFZMWDOPJ-AIUXZDRISA-N
MW250.28 g/mol
LogP-1.80
Rot. Bonds7

About (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid

(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid (PubChem CID 107775462) has the molecular formula C8H14N2O5S and a molecular weight of 250.28 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid
PubChem CID107775462
Molecular FormulaC8H14N2O5S
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC Name(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid
SMILESCC(=O)N[C@@H](CS(=O)CCC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5S/c1-5(11)10-6(8(13)14)4-16(15)3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-,16?/m0/s1
InChIKeyMIZMPWFZMWDOPJ-AIUXZDRISA-N
XLogP-1.80
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(2-amino-2-oxoethyl)sulfinylpropanoic acid
CID 107768598
2-acetamido-3-(2-methylsulfanylethylsulfinyl)propanoic acid
CID 107768624
2-acetamido-3-(4-methylpentylsulfinyl)propanoic acid
CID 107768665
(2R)-2-acetamido-3-(2-ethoxyethylsulfinyl)propanoic acid
CID 107775540
2-acetamido-3-(3-cyanopropylsulfinyl)propanoic acid
CID 107768721
(2R)-2-acetamido-3-(3-ethylsulfonylpropylsulfinyl)propanoic acid
CID 114000114
2-acetamido-3-(2-ethylbutylsulfinyl)propanoic acid
CID 107768616
2-acetamido-3-(2-methylbutylsulfinyl)propanoic acid
CID 107753296
(2R)-2-acetamido-3-(2-butoxyethylsulfinyl)propanoic acid
CID 114000133
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
2-acetamido-3-(difluoromethylsulfinyl)propanoic acid
CID 107768785

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid?
The IUPAC name of (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid (CID 107775462) is (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid is CC(=O)N[C@@H](CS(=O)CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid?
The InChIKey is MIZMPWFZMWDOPJ-AIUXZDRISA-N. The full InChI is InChI=1S/C8H14N2O5S/c1-5(11)10-6(8(13)14)4-16(15)3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-,16?/m0/s1.
What are the key properties of (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid?
(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid has a molecular weight of 250.28 g/mol, XLogP of -1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid is sourced from PubChem (CID 107775462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).