(2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid

C11H14N2O5S2 — CID 61141784

IUPAC(2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCOC(=O)c1sccc1NC(=O)CSC[C@H](N)C(=O)O
InChIInChI=1S/C11H14N2O5S2/c1-18-11(17)9-7(2-3-20-9)13-8(14)5-19-4-6(12)10(15)16/h2-3,6H,4-5,12H2,1H3,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyFIUWVNSKFFCRQB-LURJTMIESA-N
MW318.38 g/mol
LogP0.62
Rot. Bonds7

About (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 61141784) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
PubChem CID61141784
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Name(2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCOC(=O)c1sccc1NC(=O)CSC[C@H](N)C(=O)O
InChIInChI=1S/C11H14N2O5S2/c1-18-11(17)9-7(2-3-20-9)13-8(14)5-19-4-6(12)10(15)16/h2-3,6H,4-5,12H2,1H3,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyFIUWVNSKFFCRQB-LURJTMIESA-N
XLogP0.62
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid with MolForge

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Related Compounds

methyl 3-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 79682764
methyl 3-[(2-butylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 43409254
methyl 3-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 103706057
methyl 3-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 113244571
methyl 3-[[2-(4-aminophenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 25116305
methyl 3-[[(2S)-2-aminobutanoyl]amino]thiophene-2-carboxylate
CID 79023231
(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142180
methyl 3-(3,3-diphenylpropanoylamino)thiophene-2-carboxylate
CID 3421520
2-amino-3-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385271
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
2-amino-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385235
methyl 3-[[2-(2,3-dichlorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 3288681

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid (CID 61141784) is (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid is COC(=O)c1sccc1NC(=O)CSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is FIUWVNSKFFCRQB-LURJTMIESA-N. The full InChI is InChI=1S/C11H14N2O5S2/c1-18-11(17)9-7(2-3-20-9)13-8(14)5-19-4-6(12)10(15)16/h2-3,6H,4-5,12H2,1H3,(H,13,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 318.38 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 61141784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).