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

C10H13N3O4S2 — CID 61142180

IUPAC(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESNC(=O)c1ccsc1NC(=O)CSC[C@H](N)C(=O)O
InChIInChI=1S/C10H13N3O4S2/c11-6(10(16)17)3-18-4-7(14)13-9-5(8(12)15)1-2-19-9/h1-2,6H,3-4,11H2,(H2,12,15)(H,13,14)(H,16,17)/t6-/m0/s1
InChIKeyUIPJQPCOBFOQEF-LURJTMIESA-N
MW303.37 g/mol
LogP-0.07
Rot. Bonds7

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

(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 61142180) has the molecular formula C10H13N3O4S2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
PubChem CID61142180
Molecular FormulaC10H13N3O4S2
Molecular Weight303.37 g/mol
Exact Mass303.03
IUPAC Name(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESNC(=O)c1ccsc1NC(=O)CSC[C@H](N)C(=O)O
InChIInChI=1S/C10H13N3O4S2/c11-6(10(16)17)3-18-4-7(14)13-9-5(8(12)15)1-2-19-9/h1-2,6H,3-4,11H2,(H2,12,15)(H,13,14)(H,16,17)/t6-/m0/s1
InChIKeyUIPJQPCOBFOQEF-LURJTMIESA-N
XLogP-0.07
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2498614
(2R)-2-amino-3-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61141784
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2103495
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 7847408
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid (CID 61142180) is (2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid is NC(=O)c1ccsc1NC(=O)CSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is UIPJQPCOBFOQEF-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O4S2/c11-6(10(16)17)3-18-4-7(14)13-9-5(8(12)15)1-2-19-9/h1-2,6H,3-4,11H2,(H2,12,15)(H,13,14)(H,16,17)/t6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 303.37 g/mol, XLogP of -0.07, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 61142180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).