4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid

C11H16N2O3S — CID 82014771

IUPAC4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Nc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-8(2-3-10(14)15)6-12-11(16)13-9-4-5-17-7-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyOTEATAAEKNBDLT-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.37
Rot. Bonds6

About 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid

4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid (PubChem CID 82014771) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid
PubChem CID82014771
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)Nc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-8(2-3-10(14)15)6-12-11(16)13-9-4-5-17-7-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyOTEATAAEKNBDLT-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 82010120
4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 82015110
5-[(2-bromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688840
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
5-[(3-bromo-5-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82860456
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 82014725
4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
CID 82014748
5-[(2,5-dibromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688853
5-[(2-bromo-4-chlorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014613
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014553
1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504571

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid (CID 82014771) is 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid is CC(CCC(=O)O)CNC(=O)Nc1ccsc1.
What is the InChIKey of 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid?
The InChIKey is OTEATAAEKNBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(2-3-10(14)15)6-12-11(16)13-9-4-5-17-7-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid?
4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 82014771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).