(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid

C14H14N2O3S — CID 115286894

IUPAC(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid
SMILESNC(C(=O)N[C@@H](C(=O)O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H14N2O3S/c15-11(10-7-4-8-20-10)13(17)16-12(14(18)19)9-5-2-1-3-6-9/h1-8,11-12H,15H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyLMTKJCZCKCDTMS-PIJUOVFKSA-N
MW290.34 g/mol
LogP1.69
Rot. Bonds5

About (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid

(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid (PubChem CID 115286894) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid
PubChem CID115286894
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid
SMILESNC(C(=O)N[C@@H](C(=O)O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H14N2O3S/c15-11(10-7-4-8-20-10)13(17)16-12(14(18)19)9-5-2-1-3-6-9/h1-8,11-12H,15H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1
InChIKeyLMTKJCZCKCDTMS-PIJUOVFKSA-N
XLogP1.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283749
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288789
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404
(2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 115286900
(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid
CID 113353099
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
2-amino-N-(dicyclopropylmethyl)-2-thiophen-2-ylacetamide
CID 115286946
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
(2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid
CID 114005146
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoic acid
CID 113279146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid (CID 115286894) is (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid is NC(C(=O)N[C@@H](C(=O)O)c1ccccc1)c1cccs1.
What is the InChIKey of (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid?
The InChIKey is LMTKJCZCKCDTMS-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-11(10-7-4-8-20-10)13(17)16-12(14(18)19)9-5-2-1-3-6-9/h1-8,11-12H,15H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid?
(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid has a molecular weight of 290.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 115286894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).