(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid

C12H18N2O3S — CID 113353099

IUPAC(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C(N)c1cccs1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)9(11(16)17)14-10(15)8(13)7-5-4-6-18-7/h4-6,8-9H,13H2,1-3H3,(H,14,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyUGEHPSZQRMVEEQ-GKAPJAKFSA-N
MW270.35 g/mol
LogP1.36
Rot. Bonds4

About (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid

(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 113353099) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid
PubChem CID113353099
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)C(N)c1cccs1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)9(11(16)17)14-10(15)8(13)7-5-4-6-18-7/h4-6,8-9H,13H2,1-3H3,(H,14,15)(H,16,17)/t8?,9-/m0/s1
InChIKeyUGEHPSZQRMVEEQ-GKAPJAKFSA-N
XLogP1.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 115286900
2-[(2-amino-2-phenylacetyl)amino]-3,3-dimethylbutanoic acid
CID 61159659
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404
(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid
CID 115286894
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoic acid
CID 113279146
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
(2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid
CID 114005146
3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid
CID 113308017
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786809
2-amino-N-(1,1-dimethoxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287355
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid (CID 113353099) is (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)C(N)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is UGEHPSZQRMVEEQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,3)9(11(16)17)14-10(15)8(13)7-5-4-6-18-7/h4-6,8-9H,13H2,1-3H3,(H,14,15)(H,16,17)/t8?,9-/m0/s1.
What are the key properties of (2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid?
(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 270.35 g/mol, XLogP of 1.36, 4 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]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 113353099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).