2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide

C9H14N2O3S — CID 115287404

IUPAC2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NC(CO)CO)c1cccs1
InChIInChI=1S/C9H14N2O3S/c10-8(7-2-1-3-15-7)9(14)11-6(4-12)5-13/h1-3,6,8,12-13H,4-5,10H2,(H,11,14)
InChIKeyWZJOBSJREVHKEY-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.78
Rot. Bonds5

About 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide

2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 115287404) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
PubChem CID115287404
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)NC(CO)CO)c1cccs1
InChIInChI=1S/C9H14N2O3S/c10-8(7-2-1-3-15-7)9(14)11-6(4-12)5-13/h1-3,6,8,12-13H,4-5,10H2,(H,11,14)
InChIKeyWZJOBSJREVHKEY-UHFFFAOYSA-N
XLogP-0.78
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid
CID 115286894
(2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 115286900
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoic acid
CID 113279146
(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
2-[(2-amino-2-thiophen-2-ylacetyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786809
2-amino-N-[4-(dimethylamino)butan-2-yl]-2-thiophen-2-ylacetamide
CID 113279191
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide (CID 115287404) is 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide is NC(C(=O)NC(CO)CO)c1cccs1.
What is the InChIKey of 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is WZJOBSJREVHKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c10-8(7-2-1-3-15-7)9(14)11-6(4-12)5-13/h1-3,6,8,12-13H,4-5,10H2,(H,11,14).
What are the key properties of 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide?
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 230.29 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115287404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).