2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid

C14H22N2O3S — CID 61455513

IUPAC2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-4-7-15(10-13(17)18)14(19)16(11(2)3)9-12-6-5-8-20-12/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,18)
InChIKeyLSXQTIIGSLHHSO-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.88
Rot. Bonds7

About 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid

2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid (PubChem CID 61455513) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid
PubChem CID61455513
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C14H22N2O3S/c1-4-7-15(10-13(17)18)14(19)16(11(2)3)9-12-6-5-8-20-12/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,18)
InChIKeyLSXQTIIGSLHHSO-UHFFFAOYSA-N
XLogP2.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(thiophen-2-ylmethyl)carbamoyl-butylamino]acetic acid
CID 118113458
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
CID 60830325
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
2-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pentanamide
CID 54946833
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835236

Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid (CID 61455513) is 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(Cc1cccs1)C(C)C.
What is the InChIKey of 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid?
The InChIKey is LSXQTIIGSLHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-7-15(10-13(17)18)14(19)16(11(2)3)9-12-6-5-8-20-12/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid?
2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid has a molecular weight of 298.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 61455513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).