(2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid

C8H15NO3S — CID 129364476

IUPAC(2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
SMILESCCNC(=O)[C@@H](C)S[C@H](C)C(=O)O
InChIInChI=1S/C8H15NO3S/c1-4-9-7(10)5(2)13-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKeyGSCCINGZPHTUSS-PHDIDXHHSA-N
MW205.28 g/mol
LogP0.72
Rot. Bonds5

About (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid

(2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid (PubChem CID 129364476) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
PubChem CID129364476
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name(2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
SMILESCCNC(=O)[C@@H](C)S[C@H](C)C(=O)O
InChIInChI=1S/C8H15NO3S/c1-4-9-7(10)5(2)13-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKeyGSCCINGZPHTUSS-PHDIDXHHSA-N
XLogP0.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid (CID 129364476) is (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid is CCNC(=O)[C@@H](C)S[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The InChIKey is GSCCINGZPHTUSS-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-4-9-7(10)5(2)13-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,6-/m1/s1.
What are the key properties of (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
(2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid has a molecular weight of 205.28 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid is sourced from PubChem (CID 129364476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).