3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

C15H24N2O3S — CID 79488513

IUPAC3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)C(C)Cc1cccs1
InChIInChI=1S/C15H24N2O3S/c1-5-17(10-11(2)14(18)19)15(20)16(4)12(3)9-13-7-6-8-21-13/h6-8,11-12H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyBKHXKKIHNPOETJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.77
Rot. Bonds7

About 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 79488513) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID79488513
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)N(C)C(C)Cc1cccs1
InChIInChI=1S/C15H24N2O3S/c1-5-17(10-11(2)14(18)19)15(20)16(4)12(3)9-13-7-6-8-21-13/h6-8,11-12H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyBKHXKKIHNPOETJ-UHFFFAOYSA-N
XLogP2.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 55097027
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736
3,3-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 79488507
3-[ethyl(2-thiophen-2-ylethyl)amino]-2-methylpropanoic acid
CID 63774209
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
3-[ethyl-[2-(thiophene-2-carbonyl)benzoyl]amino]-2-methylpropanoic acid
CID 119033249

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 79488513) is 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)N(C)C(C)Cc1cccs1.
What is the InChIKey of 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is BKHXKKIHNPOETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-17(10-11(2)14(18)19)15(20)16(4)12(3)9-13-7-6-8-21-13/h6-8,11-12H,5,9-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 312.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 79488513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).