(2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid

C10H17NO3S — CID 39968398

IUPAC(2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESC[C@@H](SCC(=O)N[C@H](C)C1CC1)C(=O)O
InChIInChI=1S/C10H17NO3S/c1-6(8-3-4-8)11-9(12)5-15-7(2)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyYHLIVGODCRZVBC-RNFRBKRXSA-N
MW231.32 g/mol
LogP1.11
Rot. Bonds6

About (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid

(2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 39968398) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
PubChem CID39968398
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name(2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESC[C@@H](SCC(=O)N[C@H](C)C1CC1)C(=O)O
InChIInChI=1S/C10H17NO3S/c1-6(8-3-4-8)11-9(12)5-15-7(2)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyYHLIVGODCRZVBC-RNFRBKRXSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid with MolForge

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Related Compounds

N-(1-cyclopropylethyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47477183
2-(1-cyclopropylethylamino)-2-oxoacetic acid
CID 43533725
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198672
(2S)-2-(1-cyclopropylethylcarbamoylamino)-3-methylpentanoic acid
CID 61198501
N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
CID 161199822
CID 161199822
2-(2-chloro-2-oxoethyl)sulfanylpropanoic acid
CID 19096863
N-(1-cyclopropylethyl)-3-(ethylamino)propanamide
CID 62831403
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid (CID 39968398) is (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid is C[C@@H](SCC(=O)N[C@H](C)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is YHLIVGODCRZVBC-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-6(8-3-4-8)11-9(12)5-15-7(2)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1.
What are the key properties of (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid?
(2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 231.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 39968398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).