(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid

C8H16N2O3S — CID 61141480

IUPAC(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
SMILESCCNC(=O)C(C)SC[C@H](N)C(=O)O
InChIInChI=1S/C8H16N2O3S/c1-3-10-7(11)5(2)14-4-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5?,6-/m0/s1
InChIKeyVXYZNNVVMFXCMN-GDVGLLTNSA-N
MW220.29 g/mol
LogP-0.34
Rot. Bonds6

About (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid

(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid (PubChem CID 61141480) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
PubChem CID61141480
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
SMILESCCNC(=O)C(C)SC[C@H](N)C(=O)O
InChIInChI=1S/C8H16N2O3S/c1-3-10-7(11)5(2)14-4-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5?,6-/m0/s1
InChIKeyVXYZNNVVMFXCMN-GDVGLLTNSA-N
XLogP-0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 61141983
3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-4-(ethylamino)-4-oxobutanoic acid
CID 145373151
2-(2-aminoethylsulfanyl)-N-ethylpropanamide
CID 43117398
2-amino-3-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43385473
(2S)-2-amino-3-(ethylcarbamoylsulfanyl)propanoic acid
CID 2817324
2-amino-N,N'-diethylpropanediamide
CID 88901749
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671
2-amino-N-ethyl-3-ethylsulfanylpropanamide
CID 13059396
(2R)-2-acetamido-3-[1-oxo-1-(pentylamino)propan-2-yl]sulfanylpropanoic acid
CID 107774820
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-methyl-3-[1-(3-methylbutylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 64915106
(2S)-2-amino-3-(1-amino-2-oxopropyl)sulfanylpropanoic acid
CID 87664921

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid (CID 61141480) is (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid is CCNC(=O)C(C)SC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
The InChIKey is VXYZNNVVMFXCMN-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-3-10-7(11)5(2)14-4-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5?,6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid?
(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid has a molecular weight of 220.29 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid is sourced from PubChem (CID 61141480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).