3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid

C12H15N5O3S — CID 43356470

IUPAC3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1sccc1-n1cnnn1)C(=O)O
InChIInChI=1S/C12H15N5O3S/c1-3-7(2)9(12(19)20)14-11(18)10-8(4-5-21-10)17-6-13-15-16-17/h4-7,9H,3H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyRMMPMPGDBYVNNO-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.95
Rot. Bonds6

About 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid

3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid (PubChem CID 43356470) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid
PubChem CID43356470
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1sccc1-n1cnnn1)C(=O)O
InChIInChI=1S/C12H15N5O3S/c1-3-7(2)9(12(19)20)14-11(18)10-8(4-5-21-10)17-6-13-15-16-17/h4-7,9H,3H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyRMMPMPGDBYVNNO-UHFFFAOYSA-N
XLogP0.95
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785
3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 75370933
3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103716375
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 51092429
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N-(1-aminohexan-2-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119668151
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134
N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 60788006
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid (CID 43356470) is 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid is CCC(C)C(NC(=O)c1sccc1-n1cnnn1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid?
The InChIKey is RMMPMPGDBYVNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-3-7(2)9(12(19)20)14-11(18)10-8(4-5-21-10)17-6-13-15-16-17/h4-7,9H,3H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid?
3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid has a molecular weight of 309.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 43356470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).