3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid

C12H13N5O3S — CID 60845060

IUPAC3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1sccc1-n1cnnn1)C1CC1
InChIInChI=1S/C12H13N5O3S/c18-10(19)3-5-16(8-1-2-8)12(20)11-9(4-6-21-11)17-7-13-14-15-17/h4,6-8H,1-3,5H2,(H,18,19)
InChIKeyYRWQKMUELKSJMR-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.80
Rot. Bonds6

About 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid

3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid (PubChem CID 60845060) has the molecular formula C12H13N5O3S and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
PubChem CID60845060
Molecular FormulaC12H13N5O3S
Molecular Weight307.33 g/mol
Exact Mass307.07
IUPAC Name3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1sccc1-n1cnnn1)C1CC1
InChIInChI=1S/C12H13N5O3S/c18-10(19)3-5-16(8-1-2-8)12(20)11-9(4-6-21-11)17-7-13-14-15-17/h4,6-8H,1-3,5H2,(H,18,19)
InChIKeyYRWQKMUELKSJMR-UHFFFAOYSA-N
XLogP0.80
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 79403974
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 119513985
N-(2,3-dihydroxypropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66177071
methyl 2-[methyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623319
2-[2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]ethoxy]acetic acid
CID 79457635
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N-butyl-N-(2-hydroxyethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 61219329
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103730655
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
3-hydroxy-2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 43357785
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 95973078

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid (CID 60845060) is 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid is O=C(O)CCN(C(=O)c1sccc1-n1cnnn1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid?
The InChIKey is YRWQKMUELKSJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c18-10(19)3-5-16(8-1-2-8)12(20)11-9(4-6-21-11)17-7-13-14-15-17/h4,6-8H,1-3,5H2,(H,18,19).
What are the key properties of 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid?
3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid has a molecular weight of 307.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 60845060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).