3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid

C14H21NO3S — CID 62965787

IUPAC3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C14H21NO3S/c1-10(2)15(9-12-5-4-6-19-12)13(16)7-11(3)8-14(17)18/h4-6,10-11H,7-9H2,1-3H3,(H,17,18)
InChIKeyYMULMHCXOYPPNW-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.99
Rot. Bonds7

About 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid

3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid (PubChem CID 62965787) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
PubChem CID62965787
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C14H21NO3S/c1-10(2)15(9-12-5-4-6-19-12)13(16)7-11(3)8-14(17)18/h4-6,10-11H,7-9H2,1-3H3,(H,17,18)
InChIKeyYMULMHCXOYPPNW-UHFFFAOYSA-N
XLogP2.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665
2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 54946897
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119723936
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82847767
3-[[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81067110
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid (CID 62965787) is 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid is CC(CC(=O)O)CC(=O)N(Cc1cccs1)C(C)C.
What is the InChIKey of 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid?
The InChIKey is YMULMHCXOYPPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10(2)15(9-12-5-4-6-19-12)13(16)7-11(3)8-14(17)18/h4-6,10-11H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid?
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid has a molecular weight of 283.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 62965787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).