(2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid

C10H13N3O4S — CID 114005146

IUPAC(2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C(N)c1cccs1)C(=O)O
InChIInChI=1S/C10H13N3O4S/c11-7(14)4-5(10(16)17)13-9(15)8(12)6-2-1-3-18-6/h1-3,5,8H,4,12H2,(H2,11,14)(H,13,15)(H,16,17)/t5-,8?/m1/s1
InChIKeyCXJXCDAAKXDMHO-RUQIKYNFSA-N
MW271.30 g/mol
LogP-0.81
Rot. Bonds6

About (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid (PubChem CID 114005146) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid
PubChem CID114005146
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name(2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C(N)c1cccs1)C(=O)O
InChIInChI=1S/C10H13N3O4S/c11-7(14)4-5(10(16)17)13-9(15)8(12)6-2-1-3-18-6/h1-3,5,8H,4,12H2,(H2,11,14)(H,13,15)(H,16,17)/t5-,8?/m1/s1
InChIKeyCXJXCDAAKXDMHO-RUQIKYNFSA-N
XLogP-0.81
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoic acid
CID 113279146
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786809
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826898
(2S)-4-amino-4-oxo-2-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 63719214
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 107826912
(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
methyl 2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoate
CID 115286243
methyl (2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoate
CID 103954898
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid (CID 114005146) is (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)C(N)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid?
The InChIKey is CXJXCDAAKXDMHO-RUQIKYNFSA-N. The full InChI is InChI=1S/C10H13N3O4S/c11-7(14)4-5(10(16)17)13-9(15)8(12)6-2-1-3-18-6/h1-3,5,8H,4,12H2,(H2,11,14)(H,13,15)(H,16,17)/t5-,8?/m1/s1.
What are the key properties of (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid has a molecular weight of 271.30 g/mol, XLogP of -0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 114005146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).