2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid

C13H18N2O3S — CID 115284735

IUPAC2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid
SMILESNCC1CCCC1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O3S/c14-7-8-3-1-4-9(8)12(16)15-11(13(17)18)10-5-2-6-19-10/h2,5-6,8-9,11H,1,3-4,7,14H2,(H,15,16)(H,17,18)
InChIKeyAZNQWAADOOBUBR-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.37
Rot. Bonds5

About 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid

2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284735) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID115284735
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid
SMILESNCC1CCCC1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C13H18N2O3S/c14-7-8-3-1-4-9(8)12(16)15-11(13(17)18)10-5-2-6-19-10/h2,5-6,8-9,11H,1,3-4,7,14H2,(H,15,16)(H,17,18)
InChIKeyAZNQWAADOOBUBR-UHFFFAOYSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284832
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-(oxane-2-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115284229
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
2-amino-N-(1-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64822918
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid (CID 115284735) is 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid is NCC1CCCC1C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is AZNQWAADOOBUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-7-8-3-1-4-9(8)12(16)15-11(13(17)18)10-5-2-6-19-10/h2,5-6,8-9,11H,1,3-4,7,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid?
2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 282.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).