3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid

C14H21NO3S — CID 60831568

IUPAC3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CCCc1cccs1
InChIInChI=1S/C14H21NO3S/c1-11(2)15(9-8-14(17)18)13(16)7-3-5-12-6-4-10-19-12/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,17,18)
InChIKeyOIGUNMPTMQKMIJ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.78
Rot. Bonds8

About 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid

3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid (PubChem CID 60831568) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
PubChem CID60831568
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)CCCc1cccs1
InChIInChI=1S/C14H21NO3S/c1-11(2)15(9-8-14(17)18)13(16)7-3-5-12-6-4-10-19-12/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,17,18)
InChIKeyOIGUNMPTMQKMIJ-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
CID 43573458
3-[4-phenylbutanoyl(propan-2-yl)amino]propanoic acid
CID 60830563
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82847767
2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
CID 55135864
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
N-(2-chloroethyl)-N-pentan-3-yl-4-thiophen-2-ylbutanamide
CID 55186305
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
CID 78854172
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
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid (CID 60831568) is 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)CCCc1cccs1.
What is the InChIKey of 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid?
The InChIKey is OIGUNMPTMQKMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(2)15(9-8-14(17)18)13(16)7-3-5-12-6-4-10-19-12/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid?
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid has a molecular weight of 283.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 60831568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).